56643191 -OEChem-05082410132D 72 73 0 0 0 0 0 0 0999 V2000 7.7331 13.9749 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9805 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 8.3465 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 6.6145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 9.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 9.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 13.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 13.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 12.4749 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 13.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 12.9749 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3312 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 9.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 10.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 12.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 12.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 12.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 14.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 3.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 4.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 6.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 7.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 7.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 6.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 11.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 11.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 12.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 14.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 15.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 14.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 35 1 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 29 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 31 2 0 0 0 0 10 16 1 0 0 0 0 11 16 2 0 0 0 0 12 40 1 0 0 0 0 12 72 1 0 0 0 0 13 40 2 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 33 66 1 0 0 0 0 34 37 2 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 2 10 -1 16 1 M END > 56643191 > 1 > 877 > 13 > 1 > 8 > AAADcfB7PYBAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABAAAAHwQECAAADQjh2BayyYMQRgqJAiXSW3LCAAAkChAoiB1IbMoKZjKgtZ2XMQBkxgGY6Ye8yKCOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > [2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate;2,2,2-trifluoroacetic acid > 4-methylsulfonyl-3-nitrobenzoic acid [2-[4-(2-cyclohexylethyl)-1-piperazinyl]-2-oxoethyl] ester;2,2,2-trifluoroacetic acid > [2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate;2,2,2-trifluoroacetic acid > [2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate;2,2,2-trifluoroacetic acid > [2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate;2,2,2-tris(fluoranyl)ethanoic acid > 4-mesyl-3-nitro-benzoic acid [2-[4-(2-cyclohexylethyl)piperazino]-2-keto-ethyl] ester;2,2,2-trifluoroacetic acid > InChI=1S/C22H31N3O7S.C2HF3O2/c1-33(30,31)20-8-7-18(15-19(20)25(28)29)22(27)32-16-21(26)24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h7-8,15,17H,2-6,9-14,16H2,1H3;(H,6,7) > XOZSNRAMJJLMMU-UHFFFAOYSA-N > 595.18113527 > C24H32F3N3O9S > 595.6 > CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CCC3CCCCC3)[N+](=O)[O-].C(=O)(C(F)(F)F)O > CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CCC3CCCCC3)[N+](=O)[O-].C(=O)(C(F)(F)F)O > 176 > 595.18113527 > 0 > 40 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 32 33 8 32 34 8 33 36 8 34 37 8 35 36 8 35 37 8 $$$$