methyl 3-azanyl-4-[2-cyanoethyl(methyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-azanyl-4-[2-cyanoethyl(methyl)sulfamoyl]benzoate Openeye Name: methyl 3-amino-4-[2-cyanoethyl(methyl)sulfamoyl]benzoate CAS Name: 3-amino-4-[2-cyanoethyl(methyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[2-cyanoethyl(methyl)sulfamoyl]benzoate Traditional Name: 3-amino-4-[2-cyanoethyl(methyl)sulfamoyl]benzoic acid methyl ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

InChI

InChI=1S/C12H15N3O4S/c1-15(7-3-6-13)20(17,18)11-5-4-9(8-10(11)14)12(16)19-2/h4-5,8H,3,7,14H2,1-2H3