2-[[carboxymethyl-(4-methylphenyl)sulfonyl-amino]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[carboxymethyl-(4-methylphenyl)sulfonyl-amino]methylcarbamoyl]benzoic acid Openeye Name: 2-[[carboxymethyl(p-tolylsulfonyl)amino]methylcarbamoyl]benzoic acid CAS Name: 2-[[[carboxymethyl-(4-methylphenyl)sulfonylamino]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[[carboxymethyl-(4-methylphenyl)sulfonylamino]methylcarbamoyl]benzoic acid Traditional Name: 2-[[carboxymethyl(tosyl)amino]methylcarbamoyl]benzoic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O7S/c1-12-6-8-13(9-7-12)28(26,27)20(10-16(21)22)11-19-17(23)14-4-2-3-5-15(14)18(24)25/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)(H,24,25)