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

Systemtic Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanoate Openeye Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetate CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetate Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetic acid methyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C(=O)OC)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C(=O)OC)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C26H34N2O4S/c1-31-22-10-14-24(15-11-22)33(30)23-12-8-20(9-13-23)25(26(29)32-2)28-18-16-27(17-19-28)21-6-4-3-5-7-21/h8-15,21,25H,3-7,16-19H2,1-2H3