4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]-N-tert-butyl-benzenesulfonamide

Systemtic Name: 4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]-N-tert-butyl-benzenesulfonamide Openeye Name: 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-tert-butyl-benzenesulfonamide CAS Name: 4-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]-N-tert-butylbenzenesulfonamide IUPAC Name: 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-tert-butylbenzenesulfonamide Traditional Name: 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-tert-butyl-benzenesulfonamide Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H19BrN4O4S/c1-16(2,3)21-26(24,25)12-6-4-10(5-7-12)14(22)19-20-15(23)13-8-11(17)9-18-13/h4-9,18,21H,1-3H3,(H,19,22)(H,20,23)