4-chloranyl-N-(3,4-dimethylphenyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(3,4-dimethylphenyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(3,4-dimethylphenyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: 4-chloro-N-(3,4-dimethylphenyl)-3-(nicotinamidocarbamoyl)benzenesulfonamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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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)NNC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NNC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C21H19ClN4O4S/c1-13-5-6-16(10-14(13)2)26-31(29,30)17-7-8-19(22)18(11-17)21(28)25-24-20(27)15-4-3-9-23-12-15/h3-12,26H,1-2H3,(H,24,27)(H,25,28)