N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-phenyl-butanamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]-3-phenylbutanamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide Traditional Name: N-[2-(4-methylpiperazino)-5-piperidinosulfonyl-phenyl]-3-phenyl-butyramide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-21(22-9-5-3-6-10-22)19-26(31)27-24-20-23(34(32,33)30-13-7-4-8-14-30)11-12-25(24)29-17-15-28(2)16-18-29/h3,5-6,9-12,20-21H,4,7-8,13-19H2,1-2H3,(H,27,31)