N-[(1R,2S)-2-methylcyclohexyl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-20-8-5-6-13-24(20)26-25(29)22-11-7-12-23(18-22)32(30,31)28-16-14-27(15-17-28)19-21-9-3-2-4-10-21/h2-4,7,9-12,18,20,24H,5-6,8,13-17,19H2,1H3,(H,26,29)/t20-,24+/m0/s1