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

Systemtic Name: 5-chloranyl-2-methoxy-N-[(4-methylphenyl)methyl]-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 5-chloro-2-methoxy-N-(3-oxo-3-piperazin-1-yl-propyl)-N-(p-tolylmethyl)benzenesulfonamide CAS Name: 5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 5-chloro-N-(3-keto-3-piperazino-propyl)-2-methoxy-N-(4-methylbenzyl)benzenesulfonamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)21-15-19(23)7-8-20(21)30-2/h3-8,15,24H,9-14,16H2,1-2H3