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

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(3-phenylpropylamino)-1-(phenylsulfonylamino)propyl]benzoic acid Openeye Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(3-phenylpropylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(3-phenylpropylamino)propyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(3-phenylpropylamino)propyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[1-(benzenesulfonamido)-3-keto-3-(3-phenylpropylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C27H28N2O8S MolecularWeight: 540.58482

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N2O8S/c30-25(28-15-7-10-19-8-3-1-4-9-19)17-23(29-38(35,36)21-11-5-2-6-12-21)20-13-14-24(37-18-26(31)32)22(16-20)27(33)34/h1-6,8-9,11-14,16,23,29H,7,10,15,17-18H2,(H,28,30)(H,31,32)(H,33,34)