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

Systemtic Name: 3-(2-methylsulfanylethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(2-methylsulfanylethylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-[2-(methylthio)ethylamino]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(2-methylsulfanylethylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-[2-(methylthio)ethylamino]-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5S2/c1-24-8-7-18-13-9-11(16(19)20)10-14(25(17,21)22)15(13)23-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3,(H,19,20)(H2,17,21,22)