methyl 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoate

Systemtic Name: methyl 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoate Openeye Name: methyl 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoate CAS Name: 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)-2-(isocyanatosulfonylmethyl)benzoic acid methyl ester Formula: C12H14N2O7S2 MolecularWeight: 362.37876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1CS(=O)(=O)N=C=O)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1CS(=O)(=O)N=C=O)C(=O)OC

InChI

InChI=1S/C12H14N2O7S2/c1-14(2)23(19,20)11-6-4-5-9(12(16)21-3)10(11)7-22(17,18)13-8-15/h4-6H,7H2,1-3H3