N-(4-methylcyclohexyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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