N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-19-8-6-13-24(20(19)2)26-25(29)21-9-7-12-23(18-21)32(30,31)28-16-14-27(15-17-28)22-10-4-3-5-11-22/h3-5,7,9-12,18-20,24H,6,8,13-17H2,1-2H3,(H,26,29)/t19-,20+,24-/m0/s1