2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]benzoic acid Openeye Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[1-(benzenesulfonamido)-3-keto-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C28H30N2O8S MolecularWeight: 554.6114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H30N2O8S/c31-26(29-16-8-7-11-20-9-3-1-4-10-20)18-24(30-39(36,37)22-12-5-2-6-13-22)21-14-15-25(38-19-27(32)33)23(17-21)28(34)35/h1-6,9-10,12-15,17,24,30H,7-8,11,16,18-19H2,(H,29,31)(H,32,33)(H,34,35)