N-[2-[[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[[(4-hydroxy-3-nitro-phenyl)sulfonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[[(4-hydroxy-3-nitrophenyl)sulfonylhydrazo]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[[(4-hydroxy-3-nitrophenyl)sulfonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[(4-hydroxy-3-nitro-phenyl)sulfonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C17H14N4O8S3 MolecularWeight: 498.51006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H14N4O8S3/c22-15-8-7-11(10-14(15)21(24)25)31(26,27)20-18-17(23)12-4-1-2-5-13(12)19-32(28,29)16-6-3-9-30-16/h1-10,19-20,22H,(H,18,23)