methyl 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanoate

Systemtic Name: methyl 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanoate Openeye Name: methyl 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetate CAS Name: 2-(1-cyclohexyl-4-piperidinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetate Traditional Name: 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid methyl ester Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C3CCN(CC3)C4CCCCC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C3CCN(CC3)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C27H35NO4S/c1-31-23-10-14-25(15-11-23)33(30)24-12-8-20(9-13-24)26(27(29)32-2)21-16-18-28(19-17-21)22-6-4-3-5-7-22/h8-15,21-22,26H,3-7,16-19H2,1-2H3