cyanomethyl 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: cyanomethyl 4-methyl-3-sulfamoyl-benzoate Openeye Name: cyanomethyl 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid cyanomethyl ester Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N

InChI

InChI=1S/C10H10N2O4S/c1-7-2-3-8(10(13)16-5-4-11)6-9(7)17(12,14)15/h2-3,6H,5H2,1H3,(H2,12,14,15)