4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoate

Systemtic Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoate Openeye Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxido-3-oxo-propyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-[(4-acetamidophenyl)sulfonylamino]-3-oxido-3-oxopropyl]thio]-3-nitrobenzoate IUPAC Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxido-3-oxopropyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-[(4-acetamidophenyl)sulfonylamino]-3-keto-3-oxido-propyl]thio]-3-nitro-benzoate Formula: C18H15N3O9S2-2 MolecularWeight: 481.4564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17N3O9S2/c1-10(22)19-12-3-5-13(6-4-12)32(29,30)20-14(18(25)26)9-31-16-7-2-11(17(23)24)8-15(16)21(27)28/h2-8,14,20H,9H2,1H3,(H,19,22)(H,23,24)(H,25,26)/p-2