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

Systemtic Name: 4-bromanyl-N-[(3-methylphenyl)methyl]-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: 4-bromo-N-(m-tolylmethyl)-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: 4-bromo-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: 4-bromo-N-(2-keto-2-piperazino-ethyl)-N-(3-methylbenzyl)benzenesulfonamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S/c1-16-3-2-4-17(13-16)14-24(15-20(25)23-11-9-22-10-12-23)28(26,27)19-7-5-18(21)6-8-19/h2-8,13,22H,9-12,14-15H2,1H3