N-(2-bromanyl-5-methyl-phenyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-bromanyl-5-methyl-phenyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2-bromo-5-methyl-phenyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: N-(2-bromo-5-methylphenyl)-3-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(2-bromo-5-methylphenyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(2-bromo-5-methyl-phenyl)-3-(nicotinamidocarbamoyl)benzenesulfonamide Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O4S/c1-13-7-8-17(21)18(10-13)25-30(28,29)16-6-2-4-14(11-16)19(26)23-24-20(27)15-5-3-9-22-12-15/h2-12,25H,1H3,(H,23,26)(H,24,27)