2-(4-cyclohexylpiperazin-1-yl)-2-[4-(phenylsulfinyl)phenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(phenylsulfinyl)phenyl]ethanenitrile Openeye Name: 2-[4-(benzenesulfinyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)acetonitrile CAS Name: 2-[4-(benzenesulfinyl)phenyl]-2-(4-cyclohexyl-1-piperazinyl)acetonitrile IUPAC Name: 2-[4-(benzenesulfinyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)acetonitrile Traditional Name: 2-[4-(benzenesulfinyl)phenyl]-2-(4-cyclohexylpiperazino)acetonitrile Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3OS/c25-19-24(27-17-15-26(16-18-27)21-7-3-1-4-8-21)20-11-13-23(14-12-20)29(28)22-9-5-2-6-10-22/h2,5-6,9-14,21,24H,1,3-4,7-8,15-18H2