(phenylmethyl) 3-[4-(acetyloxymethyl)-1-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[4-(acetyloxymethyl)-1-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propanoate Openeye Name: benzyl 3-[4-(acetoxymethyl)-1-(p-tolylsulfonyl)-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propanoate CAS Name: 3-[4-(acetyloxymethyl)-1-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(acetyloxymethyl)-1-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propanoate Traditional Name: 3-[4-(acetoxymethyl)-1-tosyl-2-(trichloromethyl)-3,6-dihydro-2H-pyridin-6-yl]propionic acid benzyl ester Formula: C26H28Cl3NO6S MolecularWeight: 588.92762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=CC2CCC(=O)OCC3=CC=CC=C3)COC(=O)C)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=CC2CCC(=O)OCC3=CC=CC=C3)COC(=O)C)C(Cl)(Cl)Cl

InChI

InChI=1S/C26H28Cl3NO6S/c1-18-8-11-23(12-9-18)37(33,34)30-22(10-13-25(32)36-16-20-6-4-3-5-7-20)14-21(17-35-19(2)31)15-24(30)26(27,28)29/h3-9,11-12,14,22,24H,10,13,15-17H2,1-2H3