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

Systemtic Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoic acid Openeye Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoic acid CAS Name: 3-[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropanoic acid Traditional Name: 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfonylpropionic acid Formula: C16H15N3O9S2 MolecularWeight: 457.435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O9S2/c17-30(27,28)12-4-2-11(3-5-12)18-16(22)10-1-6-14(13(9-10)19(23)24)29(25,26)8-7-15(20)21/h1-6,9H,7-8H2,(H,18,22)(H,20,21)(H2,17,27,28)