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

Systemtic Name: 4-chloranyl-3,5-dimethyl-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-chloro-3,5-dimethyl-N-[3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-chloro-3,5-dimethyl-N-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-chloro-3,5-dimethyl-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-keto-3-[4-(o-tolyl)piperazino]propyl]-3,5-dimethyl-benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H28ClN3O3S/c1-16-6-4-5-7-20(16)25-10-12-26(13-11-25)21(27)8-9-24-30(28,29)19-14-17(2)22(23)18(3)15-19/h4-7,14-15,24H,8-13H2,1-3H3