2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)[S@@](=O)C2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1