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

Systemtic Name: 2-[4-[3-methyl-4-[3-(2-oxidanylideneethoxy)phenyl]phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: 2-[[4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 2-[[4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylate IUPAC Name: 2-[4-[3-methyl-4-[3-(2-oxoethoxy)phenyl]phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 2-[4-[4-[3-(2-ketoethoxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylate Formula: C26H30NO7S- MolecularWeight: 500.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3CC(CCO3)C(=O)[O-])C4=CC(=CC=C4)OCC=O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3CC(CCO3)C(=O)[O-])C4=CC(=CC=C4)OCC=O

InChI

InChI=1S/C26H31NO7S/c1-18-15-20(5-6-24(18)21-3-2-4-23(16-21)33-14-12-28)19-7-10-27(11-8-19)35(31,32)25-17-22(26(29)30)9-13-34-25/h2-6,12,15-16,19,22,25H,7-11,13-14,17H2,1H3,(H,29,30)/p-1