methyl 2-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[2-(3-methoxyphenyl)-2-oxo-ethyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[2-(3-methoxyphenyl)-2-oxoethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[2-keto-2-(3-methoxyphenyl)ethyl]-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H25NO6S/c1-28-17-7-5-6-16(14-17)20(24)15-23-12-10-18(11-13-23)30(26,27)21-9-4-3-8-19(21)22(25)29-2/h3-9,14,18H,10-13,15H2,1-2H3