N-[(4-ethylphenyl)methyl]-4-(2-methylpropyl)-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-4-(2-methylpropyl)-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: N-[(4-ethylphenyl)methyl]-4-isobutyl-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: N-[(4-ethylphenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(4-ethylphenyl)methyl]-4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: N-(4-ethylbenzyl)-4-isobutyl-N-(2-keto-2-piperazino-ethyl)benzenesulfonamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C25H35N3O3S/c1-4-21-5-7-23(8-6-21)18-28(19-25(29)27-15-13-26-14-16-27)32(30,31)24-11-9-22(10-12-24)17-20(2)3/h5-12,20,26H,4,13-19H2,1-3H3