[4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2-methyloxane-4-carboxylate

Systemtic Name: [4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2-methyloxane-4-carboxylate Openeye Name: [4-[4-(3-ethoxyphenyl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2-methyltetrahydropyran-4-carboxylate CAS Name: 2-methyl-4-oxanecarboxylic acid [4-[4-(3-ethoxyphenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl ester IUPAC Name: [4-[4-(3-ethoxyphenyl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2-methyloxane-4-carboxylate Traditional Name: 2-methyltetrahydropyran-4-carboxylic acid [4-(3-methyl-4-m-phenetyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3=CCN(CC3)S(=O)(=O)OC(=O)C4CCOC(C4)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3=CCN(CC3)S(=O)(=O)OC(=O)C4CCOC(C4)C)C

InChI

InChI=1S/C27H33NO6S/c1-4-32-25-7-5-6-23(18-25)26-9-8-22(16-19(26)2)21-10-13-28(14-11-21)35(30,31)34-27(29)24-12-15-33-20(3)17-24/h5-10,16,18,20,24H,4,11-15,17H2,1-3H3