2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]ethanenitrile

Systemtic Name: 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]ethanenitrile Openeye Name: 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile CAS Name: 2-(1-cyclohexyl-4-piperidinyl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile IUPAC Name: 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile Traditional Name: 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c1-31-23-9-13-25(14-10-23)32(29,30)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3