N-[3-[[(4-nitro-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[(4-nitro-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide Openeye Name: N-[3-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide CAS Name: N-[3-[[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide Traditional Name: N-[3-[[(4-nitro-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide Formula: C13H13N5O6S MolecularWeight: 367.33722

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6S/c1-25(23,24)17-9-4-2-3-8(5-9)12(19)15-16-13(20)11-6-10(7-14-11)18(21)22/h2-7,14,17H,1H3,(H,15,19)(H,16,20)