ethyl 3-methylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: ethyl 3-methylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: ethyl 4-benzyl-3-methylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(methylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-benzyl-3-methylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(methylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)CC2=CC=CC=C2)SC

InChI

InChI=1S/C17H19NO4S2/c1-3-22-17(19)13-10-15(23-2)14(16(11-13)24(18,20)21)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,18,20,21)