3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H19BrN4O4S/c1-3-21(4-2)26(24,25)13-7-5-6-11(8-13)15(22)19-20-16(23)14-9-12(17)10-18-14/h5-10,18H,3-4H2,1-2H3,(H,19,22)(H,20,23)