3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[bis(cyanomethyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-9-7-11(13(17)18)8-12(10(9)2)21(19,20)16(5-3-14)6-4-15/h7-8H,5-6H2,1-2H3,(H,17,18)