3-(2-methylsulfanylethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2-methylsulfanylethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(2-methylsulfanylethylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-[2-(methylthio)ethylamino]-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(2-methylsulfanylethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-[2-(methylthio)ethylamino]-5-sulfamoyl-benzoic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S2/c1-24-8-7-19-15-10-13(17(20)21)11-16(25(18,22)23)14(15)9-12-5-3-2-4-6-12/h2-6,10-11,19H,7-9H2,1H3,(H,20,21)(H2,18,22,23)