2,2-diphenyl-4-pyrrolidin-1-yl-pentanenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 2,2-diphenyl-4-pyrrolidin-1-yl-pentanenitrile; 4-methylbenzenesulfonic acid Openeye Name: 2,2-diphenyl-4-pyrrolidin-1-yl-pentanenitrile; 4-methylbenzenesulfonic acid CAS Name: 2,2-diphenyl-4-(1-pyrrolidinyl)pentanenitrile; 4-methylbenzenesulfonic acid IUPAC Name: 2,2-diphenyl-4-pyrrolidin-1-ylpentanenitrile; 4-methylbenzenesulfonic acid Traditional Name: 2,2-diphenyl-4-pyrrolidino-valeronitrile; tosylic acid Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H24N2.C7H8O3S/c1-18(23-14-8-9-15-23)16-21(17-22,19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10-13,18H,8-9,14-16H2,1H3;2-5H,1H3,(H,8,9,10)