4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-yl-butanenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-yl-butanenitrile; 4-methylbenzenesulfonic acid Openeye Name: 4-(diisopropylamino)-2-phenyl-2-(2-pyridyl)butanenitrile; 4-methylbenzenesulfonic acid CAS Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-(2-pyridinyl)butanenitrile; 4-methylbenzenesulfonic acid IUPAC Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile; 4-methylbenzenesulfonic acid Traditional Name: 4-(diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile; tosylic acid Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)C

InChI

InChI=1S/C21H27N3.C7H8O3S/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-12,14,17-18H,13,15H2,1-4H3;2-5H,1H3,(H,8,9,10)