[(2R,3S)-2-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl] benzoate

Systemtic Name: [(2R,3S)-2-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl] benzoate Openeye Name: [(2R,3S)-2-(methoxymethyl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridin-3-yl] benzoate CAS Name: benzoic acid [(2R,3S)-2-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl] ester IUPAC Name: [(2R,3S)-2-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S)-2-(methoxymethyl)-1-tosyl-3,6-dihydro-2H-pyridin-3-yl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC(C2COC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C[C@@H]([C@H]2COC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-16-10-12-18(13-11-16)28(24,25)22-14-6-9-20(19(22)15-26-2)27-21(23)17-7-4-3-5-8-17/h3-13,19-20H,14-15H2,1-2H3/t19-,20+/m1/s1