3-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate

Systemtic Name: 3-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Openeye Name: 3-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate CAS Name: 3-[(2,6-dimethyl-4-thiocyanatophenyl)sulfamoyl]benzoate IUPAC Name: 3-[(2,6-dimethyl-4-thiocyanatophenyl)sulfamoyl]benzoate Traditional Name: 3-[(2,6-dimethyl-4-thiocyanato-phenyl)sulfamoyl]benzoate Formula: C16H13N2O4S2- MolecularWeight: 361.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])C)SC#N

InChI

InChI=1S/C16H14N2O4S2/c1-10-6-13(23-9-17)7-11(2)15(10)18-24(21,22)14-5-3-4-12(8-14)16(19)20/h3-8,18H,1-2H3,(H,19,20)/p-1