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

Systemtic Name: 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]thio]acetic acid Formula: C15H13N3O7S2 MolecularWeight: 411.40962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O7S2/c16-27(24,25)11-4-2-10(3-5-11)17-15(21)9-1-6-13(26-8-14(19)20)12(7-9)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20)(H2,16,24,25)