1-(3-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-(3-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)cyclohexanecarbonitrile CAS Name: 1-(3-methoxyphenyl)-4-(4-methylsulfonyl-1-piperazinyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile Traditional Name: 4-(4-mesylpiperazino)-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)S(=O)(=O)C)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)S(=O)(=O)C)C#N

InChI

InChI=1S/C19H27N3O3S/c1-25-18-5-3-4-16(14-18)19(15-20)8-6-17(7-9-19)21-10-12-22(13-11-21)26(2,23)24/h3-5,14,17H,6-13H2,1-2H3