2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: 2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: 2,5-dimethoxy-N-(m-tolylmethyl)-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: 2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: 2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: N-(2-keto-2-piperazino-ethyl)-2,5-dimethoxy-N-(3-methylbenzyl)benzenesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-17-5-4-6-18(13-17)15-25(16-22(26)24-11-9-23-10-12-24)31(27,28)21-14-19(29-2)7-8-20(21)30-3/h4-8,13-14,23H,9-12,15-16H2,1-3H3