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4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(trifluoromethyl)quinoline
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(trifluoromethyl)quinoline
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1)N=C(C=C2N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F
Isomeric SMILES
CC1=CC2=C(C=C1)N=C(C=C2N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F
InChI
InChI=1S/C23H24F3N3O4S/c1-15-4-6-18-17(12-15)19(14-22(27-18)23(24,25)26)28-8-10-29(11-9-28)34(30,31)16-5-7-20(32-2)21(13-16)33-3/h4-7,12-14H,8-11H2,1-3H3
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- (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-N8-[(2R)-2-oxidanyl-2-phenyl-ethyl]-3,4-diphenyl-N1'-[(1R)-1-phenylethyl]spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide
- 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(prop-2-enylcarbamoyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate
- 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate
- (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(prop-2-enylcarbamoyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate
- (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate
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- methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-8-(prop-2-enylcarbamoyl)spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-yl]carbonylamino]-3-methyl-butanoate
- methyl (2S)-2-[[(3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-(4-oxidanylbut-1-ynyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-yl]carbonylamino]-3-methyl-butanoate
