N-[3-(4-methylpiperidin-1-yl)carbonyl-4-piperazin-1-yl-phenyl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[3-(4-methylpiperidin-1-yl)carbonyl-4-piperazin-1-yl-phenyl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-isobutyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperazin-1-yl-phenyl]benzenesulfonamide CAS Name: N-[3-[(4-methyl-1-piperidinyl)-oxomethyl]-4-(1-piperazinyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-piperazin-1-ylphenyl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-isobutyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-piperazino-phenyl]benzenesulfonamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)N4CCNCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)N4CCNCC4

InChI

InChI=1S/C27H38N4O3S/c1-20(2)18-22-4-7-24(8-5-22)35(33,34)29-23-6-9-26(30-16-12-28-13-17-30)25(19-23)27(32)31-14-10-21(3)11-15-31/h4-9,19-21,28-29H,10-18H2,1-3H3