4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-3-oxo-propyl]sulfanyl-3-nitro-benzoic acid CAS Name: 4-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]thio]-3-nitrobenzoic acid IUPAC Name: 4-[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-3-keto-propyl]thio]-3-nitro-benzoic acid Formula: C18H17N3O9S2 MolecularWeight: 483.47228

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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)