N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]-2-hydroxy-benzenesulfonamide CAS Name: 2-hydroxy-N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-isobutyl-phenyl]-2-hydroxy-benzenesulfonamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c1-20(2)16-22-12-13-24(29-34(32,33)27-11-7-6-10-26(27)31)25(18-22)30-15-14-28-23(19-30)17-21-8-4-3-5-9-21/h3-13,18,20,23,28-29,31H,14-17,19H2,1-2H3