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

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(4-methoxyphenyl)sulfonylphenyl]acetonitrile Formula: C25H31N3O3S MolecularWeight: 453.59694

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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)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-31-22-9-13-24(14-10-22)32(29,30)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