2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]acetic acid CAS Name: 2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]acetic acid Traditional Name: 2-[4-[2-cyanoethyl(methyl)sulfamoyl]phenyl]acetic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-14(8-2-7-13)19(17,18)11-5-3-10(4-6-11)9-12(15)16/h3-6H,2,8-9H2,1H3,(H,15,16)