16250657 -OEChem-04262404222D 69 70 0 1 0 0 0 0 0999 V2000 7.1486 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0146 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 7.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0146 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 9.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1486 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 13.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 13.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2266 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2266 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 9.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 8.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 10.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 9.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 11.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 12.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 11.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5286 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 9.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7686 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 14.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 52 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 8 37 1 0 0 0 0 8 68 1 0 0 0 0 9 38 1 0 0 0 0 9 69 1 0 0 0 0 10 37 2 0 0 0 0 11 38 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 27 1 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 31 2 0 0 0 0 26 29 1 0 0 0 0 26 32 2 0 0 0 0 27 30 2 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 57 1 0 0 0 0 31 35 1 0 0 0 0 31 58 1 0 0 0 0 32 36 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 2 6 -1 14 1 M END > 16250657 > 1 > 763 > 12 > 3 > 9 > AAADceB7PABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgQESAAADRzh2AYyz4MQRgKJAiTSS3LCCBAgIgAoiBhObIoPdiKEsZuWOCDmwBGb6AeQwOAOgAQAAAAIAAAACAAAABAAAAAAAAAAAA== > 1-(2-isopropylphenoxy)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol;oxalic acid > 1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-(2-propan-2-ylphenoxy)-2-propanol;oxalic acid > 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;oxalic acid > 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;oxalic acid > ethanedioic acid;1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol > 1-(2-isopropylphenoxy)-3-(4-nosylpiperazino)propan-2-ol;oxalic acid > InChI=1S/C22H29N3O6S.C2H2O4/c1-17(2)21-5-3-4-6-22(21)31-16-19(26)15-23-11-13-24(14-12-23)32(29,30)20-9-7-18(8-10-20)25(27)28;3-1(4)2(5)6/h3-10,17,19,26H,11-16H2,1-2H3;(H,3,4)(H,5,6) > HBRNHWFXLRFTDA-UHFFFAOYSA-N > 553.17301537 > C24H31N3O10S > 553.6 > CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O > CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O > 199 > 553.17301537 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 20 2 3 21 23 8 21 24 8 23 27 8 24 28 8 25 26 8 25 31 8 26 32 8 27 30 8 28 30 8 31 35 8 32 36 8 35 36 8 $$$$