2-[(2R,6S)-5-methyl-1-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-2-yl]ethanenitrile

Systemtic Name: 2-[(2R,6S)-5-methyl-1-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-2-yl]ethanenitrile Openeye Name: 2-[(2R,6S)-6-(benzyloxymethyl)-5-methyl-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridin-2-yl]acetonitrile CAS Name: 2-[(2R,6S)-5-methyl-1-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-2-yl]acetonitrile IUPAC Name: 2-[(2R,6S)-5-methyl-1-(4-methylphenyl)sulfonyl-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-2-yl]acetonitrile Traditional Name: 2-[(2R,6S)-6-(benzoxymethyl)-5-methyl-1-tosyl-3,6-dihydro-2H-pyridin-2-yl]acetonitrile Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(N(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)CC#N

Isomeric SMILES

CC1=CC[C@@H](N([C@@H]1COCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)CC#N

InChI

InChI=1S/C23H26N2O3S/c1-18-8-12-22(13-9-18)29(26,27)25-21(14-15-24)11-10-19(2)23(25)17-28-16-20-6-4-3-5-7-20/h3-10,12-13,21,23H,11,14,16-17H2,1-2H3/t21-,23-/m1/s1