5-[bis(cyanomethyl)sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[bis(cyanomethyl)sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[bis(cyanomethyl)sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[bis(cyanomethyl)sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[bis(cyanomethyl)sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[bis(cyanomethyl)sulfamoyl]-2-methyl-benzoic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/c1-9-2-3-10(8-11(9)12(16)17)20(18,19)15(6-4-13)7-5-14/h2-3,8H,6-7H2,1H3,(H,16,17)