3-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate

Systemtic Name: 3-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Openeye Name: 3-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate CAS Name: 3-[(2-methyl-4-thiocyanatophenyl)sulfamoyl]benzoate IUPAC Name: 3-[(2-methyl-4-thiocyanatophenyl)sulfamoyl]benzoate Traditional Name: 3-[(2-methyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Formula: C15H11N2O4S2- MolecularWeight: 347.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H12N2O4S2/c1-10-7-12(22-9-16)5-6-14(10)17-23(20,21)13-4-2-3-11(8-13)15(18)19/h2-8,17H,1H3,(H,18,19)/p-1