2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-(3-ethoxyphenyl)-2-(3-methylphenyl)oxane-4-carboxylic acid

Systemtic Name: 2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-(3-ethoxyphenyl)-2-(3-methylphenyl)oxane-4-carboxylic acid Openeye Name: 2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-(3-ethoxyphenyl)-2-(m-tolyl)tetrahydropyran-4-carboxylic acid CAS Name: 2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-(3-ethoxyphenyl)-2-(3-methylphenyl)-4-oxanecarboxylic acid IUPAC Name: 2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-(3-ethoxyphenyl)-2-(3-methylphenyl)oxane-4-carboxylic acid Traditional Name: 2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-m-phenetyl-2-(m-tolyl)tetrahydropyran-4-carboxylic acid Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2(CCOC(C2)(C3=CC(=CC=C3)C)S(=O)(=O)N4CCC=CC4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2(CCOC(C2)(C3=CC(=CC=C3)C)S(=O)(=O)N4CCC=CC4)C(=O)O

InChI

InChI=1S/C26H31NO6S/c1-3-32-23-12-8-10-21(18-23)25(24(28)29)13-16-33-26(19-25,22-11-7-9-20(2)17-22)34(30,31)27-14-5-4-6-15-27/h4-5,7-12,17-18H,3,6,13-16,19H2,1-2H3,(H,28,29)