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

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanenitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanenitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propanenitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(4-methoxyphenyl)sulfinylphenyl]propionitrile Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2S/c1-26(20-27,29-18-16-28(17-19-29)22-6-4-3-5-7-22)21-8-12-24(13-9-21)32(30)25-14-10-23(31-2)11-15-25/h8-15,22H,3-7,16-19H2,1-2H3