methyl 4-phenylsulfanyl-3-sulfamoyl-benzoate

Systemtic Name: methyl 4-phenylsulfanyl-3-sulfamoyl-benzoate Openeye Name: methyl 4-phenylsulfanyl-3-sulfamoyl-benzoate CAS Name: 4-(phenylthio)-3-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-phenylsulfanyl-3-sulfamoylbenzoate Traditional Name: 4-(phenylthio)-3-sulfamoyl-benzoic acid methyl ester Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C14H13NO4S2/c1-19-14(16)10-7-8-12(13(9-10)21(15,17)18)20-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,17,18)