4-[2-[2-cyanoethyl(phenyl)amino]ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-[2-cyanoethyl(phenyl)amino]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[N-(2-cyanoethyl)anilino]ethyl]benzenesulfonic acid CAS Name: 4-[2-[N-(2-cyanoethyl)anilino]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[N-(2-cyanoethyl)anilino]ethyl]benzenesulfonic acid Traditional Name: 4-[2-[N-(2-cyanoethyl)anilino]ethyl]besylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C17H18N2O3S/c18-12-4-13-19(16-5-2-1-3-6-16)14-11-15-7-9-17(10-8-15)23(20,21)22/h1-3,5-10H,4,11,13-14H2,(H,20,21,22)