4-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]-N-(2-cyanoethyl)benzenesulfonamide

Systemtic Name: 4-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]-N-(2-cyanoethyl)benzenesulfonamide Openeye Name: 4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-cyanoethyl)benzenesulfonamide CAS Name: 4-[[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-oxomethyl]-N-(2-cyanoethyl)benzenesulfonamide IUPAC Name: 4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-cyanoethyl)benzenesulfonamide Formula: C16H16BrN5O4S MolecularWeight: 454.29834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)Br

InChI

InChI=1S/C16H16BrN5O4S/c1-22-10-12(17)9-14(22)16(24)21-20-15(23)11-3-5-13(6-4-11)27(25,26)19-8-2-7-18/h3-6,9-10,19H,2,8H2,1H3,(H,20,23)(H,21,24)