3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]thio]propanoic acid IUPAC Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]thio]propionic acid Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(=O)O)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(=O)O)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H15N3O7S2/c17-28(25,26)12-4-2-11(3-5-12)18-16(22)10-1-6-14(13(9-10)19(23)24)27-8-7-15(20)21/h1-6,9H,7-8H2,(H,18,22)(H,20,21)(H2,17,25,26)