4-chloranyl-N-(3,4-dimethylphenyl)-3-(4-ethanoylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,4-dimethylphenyl)-3-(4-ethanoylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide CAS Name: 3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide IUPAC Name: 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Traditional Name: 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C21H24ClN3O4S/c1-14-4-5-17(12-15(14)2)23-30(28,29)18-6-7-20(22)19(13-18)21(27)25-10-8-24(9-11-25)16(3)26/h4-7,12-13,23H,8-11H2,1-3H3