2-azanyl-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(carboxymethyloxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C23H21NO8S MolecularWeight: 471.47974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCC(=O)O)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCC(=O)O)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H21NO8S/c1-31-16-7-9-17(10-8-16)33(29,30)22-15(11-14-5-3-2-4-6-14)12-18(23(27)28)20(24)21(22)32-13-19(25)26/h2-10,12H,11,13,24H2,1H3,(H,25,26)(H,27,28)