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

Systemtic Name: 3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C19H17BrN4O4S/c20-15-10-17(21-12-15)19(26)24-23-18(25)14-7-4-8-16(9-14)29(27,28)22-11-13-5-2-1-3-6-13/h1-10,12,21-22H,11H2,(H,23,25)(H,24,26)