3-[[2-cyanoethyl(phenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[2-cyanoethyl(phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzenesulfonic acid Traditional Name: 3-[[N-(2-cyanoethyl)anilino]methyl]besylic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H16N2O3S/c17-10-5-11-18(15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)22(19,20)21/h1-4,6-9,12H,5,11,13H2,(H,19,20,21)