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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O3S/c1-16-6-7-20(14-17(16)2)29(27,28)23-9-8-21(26)25-12-10-24(11-13-25)19-5-3-4-18(22)15-19/h3-7,14-15,23H,8-13H2,1-2H3