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

Systemtic Name: 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]ethanenitrile Openeye Name: 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile CAS Name: 2-(1-cyclohexyl-4-piperidinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile IUPAC Name: 2-(1-cyclohexylpiperidin-4-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile Traditional Name: 2-(1-cyclohexyl-4-piperidyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile Formula: C26H32N2O2S MolecularWeight: 436.60948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)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