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

Systemtic Name: 2-(carboxymethyloxy)-5-[1-(methylsulfonylamino)-3-oxidanylidene-3-(pentylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[1-(methanesulfonamido)-3-oxo-3-(pentylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[1-(methanesulfonamido)-3-oxo-3-(pentylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[1-(methanesulfonamido)-3-oxo-3-(pentylamino)propyl]benzoic acid Traditional Name: 5-[3-(amylamino)-3-keto-1-(methanesulfonamido)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C18H26N2O8S MolecularWeight: 430.47264

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O8S/c1-3-4-5-8-19-16(21)10-14(20-29(2,26)27)12-6-7-15(28-11-17(22)23)13(9-12)18(24)25/h6-7,9,14,20H,3-5,8,10-11H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)