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

Systemtic Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanoate Openeye Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanoate CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanoate Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propionic acid methyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4S/c1-27(26(30)33-3,29-19-17-28(18-20-29)22-7-5-4-6-8-22)21-9-13-24(14-10-21)34(31)25-15-11-23(32-2)12-16-25/h9-16,22H,4-8,17-20H2,1-3H3