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

Systemtic Name: 3-chloranyl-4-methoxy-N-[(4-methylphenyl)methyl]-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 3-chloro-4-methoxy-N-(3-oxo-3-piperazin-1-yl-propyl)-N-(p-tolylmethyl)benzenesulfonamide CAS Name: 3-chloro-4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methoxy-N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 3-chloro-N-(3-keto-3-piperazino-propyl)-4-methoxy-N-(4-methylbenzyl)benzenesulfonamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-17-3-5-18(6-4-17)16-26(12-9-22(27)25-13-10-24-11-14-25)31(28,29)19-7-8-21(30-2)20(23)15-19/h3-8,15,24H,9-14,16H2,1-2H3