2-chloranyl-N-(2,5-dimethylphenyl)-5-(4-methanoylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2,5-dimethylphenyl)-5-(4-methanoylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(2,5-dimethylphenyl)-5-(4-formylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-(2,5-dimethylphenyl)-5-[(4-formyl-1-piperazinyl)-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(2,5-dimethylphenyl)-5-(4-formylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-(2,5-dimethylphenyl)-5-(4-formylpiperazine-1-carbonyl)benzenesulfonamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-14-3-4-15(2)18(11-14)22-29(27,28)19-12-16(5-6-17(19)21)20(26)24-9-7-23(13-25)8-10-24/h3-6,11-13,22H,7-10H2,1-2H3