N-[(3-chlorophenyl)methyl]-2,4-dimethyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2,4-dimethyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[(3-chlorophenyl)methyl]-2,4-dimethyl-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(3-chlorophenyl)methyl]-2,4-dimethyl-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2,4-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: N-(3-chlorobenzyl)-N-(3-keto-3-piperazino-propyl)-2,4-dimethyl-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O3S/c1-17-6-7-21(18(2)14-17)30(28,29)26(16-19-4-3-5-20(23)15-19)11-8-22(27)25-12-9-24-10-13-25/h3-7,14-15,24H,8-13,16H2,1-2H3