methyl 3-azanyl-4-[bis(cyanomethyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-azanyl-4-[bis(cyanomethyl)sulfamoyl]benzoate Openeye Name: methyl 3-amino-4-[bis(cyanomethyl)sulfamoyl]benzoate CAS Name: 3-amino-4-[bis(cyanomethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[bis(cyanomethyl)sulfamoyl]benzoate Traditional Name: 3-amino-4-[bis(cyanomethyl)sulfamoyl]benzoic acid methyl ester Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N(CC#N)CC#N)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N(CC#N)CC#N)N

InChI

InChI=1S/C12H12N4O4S/c1-20-12(17)9-2-3-11(10(15)8-9)21(18,19)16(6-4-13)7-5-14/h2-3,8H,6-7,15H2,1H3