68254577 -OEChem-05052400212D 65 67 0 1 0 0 0 0 0999 V2000 9.5323 3.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 0.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.0295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 1.0362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2740 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 3.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3984 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8984 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 1.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -0.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 0.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7989 2.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 2.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -0.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -0.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 0.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 -0.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 3.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 3.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 2.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 3.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7795 0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 2.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 -0.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7795 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3984 1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0184 2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3984 3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4353 3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2084 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0089 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 -2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 17 2 0 0 0 0 5 25 2 0 0 0 0 6 32 2 0 0 0 0 11 7 1 6 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 44 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 9 27 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 51 1 0 0 0 0 24 28 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 33 65 1 0 0 0 0 M END > 68254577 > 1 > 737 > 7 > 2 > 7 > AAADcfB7sYBAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACxAAAAHwQQAAAADCjB2BQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > 4-[2-[(2,2-difluoroacetyl)amino]ethyl]-N-isopropyl-2,2-dimethyl-3-oxo-N-[(3R)-3-piperidyl]-1,4-benzothiazine-6-carboxamide > 4-[2-[(2,2-difluoro-1-oxoethyl)amino]ethyl]-2,2-dimethyl-3-oxo-N-[(3R)-3-piperidinyl]-N-propan-2-yl-1,4-benzothiazine-6-carboxamide > 4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-dimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzothiazine-6-carboxamide > 4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-dimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzothiazine-6-carboxamide > 4-[2-[2,2-bis(fluoranyl)ethanoylamino]ethyl]-2,2-dimethyl-3-oxidanylidene-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzothiazine-6-carboxamide > 4-[2-[(2,2-difluoroacetyl)amino]ethyl]-N-isopropyl-3-keto-2,2-dimethyl-N-[(3R)-3-piperidyl]-1,4-benzothiazine-6-carboxamide > InChI=1S/C23H32F2N4O3S/c1-14(2)29(16-6-5-9-26-13-16)21(31)15-7-8-18-17(12-15)28(22(32)23(3,4)33-18)11-10-27-20(30)19(24)25/h7-8,12,14,16,19,26H,5-6,9-11,13H2,1-4H3,(H,27,30)/t16-/m1/s1 > IOKSLWRSLYVLQZ-MRXNPFEDSA-N > 2.7 > 482.21631839 > C23H32F2N4O3S > 482.6 > CC(C)N(C1CCCNC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3CCNC(=O)C(F)F)(C)C > CC(C)N([C@@H]1CCCNC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3CCNC(=O)C(F)F)(C)C > 107 > 482.21631839 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 23 8 20 26 8 22 23 8 22 24 8 24 28 8 26 28 8 11 7 6 $$$$