4-(3-methoxyphenyl)-2-(3-methylphenyl)-2-piperidin-1-ylsulfonyl-oxane-4-carboxylic acid

Systemtic Name: 4-(3-methoxyphenyl)-2-(3-methylphenyl)-2-piperidin-1-ylsulfonyl-oxane-4-carboxylic acid Openeye Name: 4-(3-methoxyphenyl)-2-(m-tolyl)-2-(1-piperidylsulfonyl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(3-methoxyphenyl)-2-(3-methylphenyl)-2-(1-piperidinylsulfonyl)-4-oxanecarboxylic acid IUPAC Name: 4-(3-methoxyphenyl)-2-(3-methylphenyl)-2-piperidin-1-ylsulfonyloxane-4-carboxylic acid Traditional Name: 4-(3-methoxyphenyl)-2-(m-tolyl)-2-piperidinosulfonyl-tetrahydropyran-4-carboxylic acid Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC(CCO2)(C3=CC(=CC=C3)OC)C(=O)O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2(CC(CCO2)(C3=CC(=CC=C3)OC)C(=O)O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31NO6S/c1-19-8-6-10-21(16-19)25(33(29,30)26-13-4-3-5-14-26)18-24(23(27)28,12-15-32-25)20-9-7-11-22(17-20)31-2/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H,27,28)