1-(3-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-methoxyphenyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]cyclohexanecarbonitrile CAS Name: 1-(3-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-methoxyphenyl)-4-(4-tosylpiperazino)cyclohexanecarbonitrile Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)(C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)(C#N)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31N3O3S/c1-20-6-8-24(9-7-20)32(29,30)28-16-14-27(15-17-28)22-10-12-25(19-26,13-11-22)21-4-3-5-23(18-21)31-2/h3-9,18,22H,10-17H2,1-2H3