2-[(4-acetamidophenyl)sulfonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17N3O8S/c1-10(21)18-12-3-5-13(6-4-12)29(27,28)19-14(17(23)24)8-11-2-7-16(22)15(9-11)20(25)26/h2-7,9,14,19,22H,8H2,1H3,(H,18,21)(H,23,24)