2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(phenethylamino)-1-(phenylsulfonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(phenethylamino)-1-(phenylsulfonylamino)propyl]benzoic acid Openeye Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(phenethylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(phenethylamino)propyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(phenethylamino)propyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[1-(benzenesulfonamido)-3-keto-3-(phenethylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C26H26N2O8S MolecularWeight: 526.55824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC(C2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC(C2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O8S/c29-24(27-14-13-18-7-3-1-4-8-18)16-22(28-37(34,35)20-9-5-2-6-10-20)19-11-12-23(36-17-25(30)31)21(15-19)26(32)33/h1-12,15,22,28H,13-14,16-17H2,(H,27,29)(H,30,31)(H,32,33)