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

Systemtic Name: 2-(carboxymethyloxy)-5-[3-(3-methoxypropylamino)-3-oxidanylidene-1-(phenylsulfonylamino)propyl]benzoic acid Openeye Name: 5-[1-(benzenesulfonamido)-3-(3-methoxypropylamino)-3-oxo-propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[1-(benzenesulfonamido)-3-(3-methoxypropylamino)-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[1-(benzenesulfonamido)-3-(3-methoxypropylamino)-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[1-(benzenesulfonamido)-3-keto-3-(3-methoxypropylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C22H26N2O9S MolecularWeight: 494.51484

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CC(C1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COCCCNC(=O)CC(C1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O9S/c1-32-11-5-10-23-20(25)13-18(24-34(30,31)16-6-3-2-4-7-16)15-8-9-19(33-14-21(26)27)17(12-15)22(28)29/h2-4,6-9,12,18,24H,5,10-11,13-14H2,1H3,(H,23,25)(H,26,27)(H,28,29)