4-chloranyl-N-(3,5-dimethylphenyl)-N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,5-dimethylphenyl)-N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-chloro-N-(3,5-dimethylphenyl)-N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-chloro-N-(3,5-dimethylphenyl)-N-[3-oxo-3-(3-oxo-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(3,5-dimethylphenyl)-N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 4-chloro-N-(3,5-dimethylphenyl)-N-[3-keto-3-(3-ketopiperazino)propyl]benzenesulfonamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClN3O4S/c1-15-11-16(2)13-18(12-15)25(30(28,29)19-5-3-17(22)4-6-19)9-7-21(27)24-10-8-23-20(26)14-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,26)