5-[bis(cyanomethyl)sulfamoyl]-4-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[bis(cyanomethyl)sulfamoyl]-4-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methyl-benzoic acid CAS Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid IUPAC Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid Traditional Name: 5-[bis(cyanomethyl)sulfamoyl]-2-hydroxy-4-methyl-benzoic acid Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5S/c1-8-6-10(16)9(12(17)18)7-11(8)21(19,20)15(4-2-13)5-3-14/h6-7,16H,4-5H2,1H3,(H,17,18)