[4-[3-methyl-4-[3-(2-oxidanylideneethoxy)phenyl]phenyl]piperidin-1-yl]sulfonyl 2-methyloxane-4-carboxylate

Systemtic Name: [4-[3-methyl-4-[3-(2-oxidanylideneethoxy)phenyl]phenyl]piperidin-1-yl]sulfonyl 2-methyloxane-4-carboxylate Openeye Name: [4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]-1-piperidyl]sulfonyl 2-methyltetrahydropyran-4-carboxylate CAS Name: 2-methyl-4-oxanecarboxylic acid [4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]-1-piperidinyl]sulfonyl ester IUPAC Name: [4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]piperidin-1-yl]sulfonyl 2-methyloxane-4-carboxylate Traditional Name: 2-methyltetrahydropyran-4-carboxylic acid [4-[4-[3-(2-ketoethoxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyl ester Formula: C27H33NO7S MolecularWeight: 515.61842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)C(=O)OS(=O)(=O)N2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=CC=C4)OCC=O)C

Isomeric SMILES

CC1CC(CCO1)C(=O)OS(=O)(=O)N2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=CC=C4)OCC=O)C

InChI

InChI=1S/C27H33NO7S/c1-19-16-22(6-7-26(19)23-4-3-5-25(18-23)34-15-13-29)21-8-11-28(12-9-21)36(31,32)35-27(30)24-10-14-33-20(2)17-24/h3-7,13,16,18,20-21,24H,8-12,14-15,17H2,1-2H3