2-(4-aminophenyl)-5-phenyl-pentanenitrile; ethanesulfonic acid

Systemtic Name: 2-(4-aminophenyl)-5-phenyl-pentanenitrile; ethanesulfonic acid Openeye Name: 2-(4-aminophenyl)-5-phenyl-pentanenitrile; ethanesulfonic acid CAS Name: 2-(4-aminophenyl)-5-phenylpentanenitrile; ethanesulfonic acid IUPAC Name: 2-(4-aminophenyl)-5-phenylpentanenitrile; ethanesulfonic acid Traditional Name: 2-(4-aminophenyl)-5-phenyl-valeronitrile; esylic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC=C(C=C1)CCCC(C#N)C2=CC=C(C=C2)N

Isomeric SMILES

CCS(=O)(=O)O.C1=CC=C(C=C1)CCCC(C#N)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H18N2.C2H6O3S/c18-13-16(15-9-11-17(19)12-10-15)8-4-7-14-5-2-1-3-6-14;1-2-6(3,4)5/h1-3,5-6,9-12,16H,4,7-8,19H2;2H2,1H3,(H,3,4,5)