2-[2-cyanoethyl(methyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[2-cyanoethyl(methyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[2-cyanoethyl(methyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 2-[2-cyanoethyl(methyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[2-cyanoethyl(methyl)amino]-5-sulfamoylbenzoic acid Traditional Name: 2-[2-cyanoethyl(methyl)amino]-5-sulfamoyl-benzoic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-14(6-2-5-12)10-4-3-8(19(13,17)18)7-9(10)11(15)16/h3-4,7H,2,6H2,1H3,(H,15,16)(H2,13,17,18)