N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 4-isobutyl-N-(m-tolylmethyl)-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 4-isobutyl-N-(3-keto-3-piperazino-propyl)-N-(3-methylbenzyl)benzenesulfonamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C25H35N3O3S/c1-20(2)17-22-7-9-24(10-8-22)32(30,31)28(19-23-6-4-5-21(3)18-23)14-11-25(29)27-15-12-26-13-16-27/h4-10,18,20,26H,11-17,19H2,1-3H3