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

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(pentylamino)-1-(phenylsulfonylamino)propyl]benzoic acid Openeye Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(pentylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(pentylamino)propyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[1-(benzenesulfonamido)-3-oxo-3-(pentylamino)propyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[3-(amylamino)-1-(benzenesulfonamido)-3-keto-propyl]-2-(carboxymethyloxy)benzoic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O8S/c1-2-3-7-12-24-21(26)14-19(25-34(31,32)17-8-5-4-6-9-17)16-10-11-20(33-15-22(27)28)18(13-16)23(29)30/h4-6,8-11,13,19,25H,2-3,7,12,14-15H2,1H3,(H,24,26)(H,27,28)(H,29,30)