(4-methylsulfanylphenyl)methyl 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-sulfamoyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H17NO4S2/c1-11-3-8-14(23(17,19)20)9-15(11)16(18)21-10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H2,17,19,20)