3,4-dimethyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[3-(methylthio)phenyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[[3-(methylthio)phenyl]sulfamoyl]benzoate Formula: C16H16NO4S2- MolecularWeight: 350.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C16H17NO4S2/c1-10-7-12(16(18)19)8-15(11(10)2)23(20,21)17-13-5-4-6-14(9-13)22-3/h4-9,17H,1-3H3,(H,18,19)/p-1