3-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-methylsulfonyl-2-nitro-anilino)ethylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-mesyl-2-nitro-anilino)ethylsulfamoyl]phenyl]propionic acid Formula: C18H21N3O8S2 MolecularWeight: 471.50464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O8S2/c1-30(26,27)15-7-8-16(17(12-15)21(24)25)19-10-11-20-31(28,29)14-5-2-13(3-6-14)4-9-18(22)23/h2-3,5-8,12,19-20H,4,9-11H2,1H3,(H,22,23)