1-(3-methoxyphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methoxyphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile Openeye Name: 1-(3-methoxyphenyl)-4-[(1-methylsulfonyl-4-piperidyl)amino]cyclohexanecarbonitrile CAS Name: 1-(3-methoxyphenyl)-4-[(1-methylsulfonyl-4-piperidinyl)amino]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methoxyphenyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile Traditional Name: 4-[(1-mesyl-4-piperidyl)amino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NC3CCN(CC3)S(=O)(=O)C)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NC3CCN(CC3)S(=O)(=O)C)C#N

InChI

InChI=1S/C20H29N3O3S/c1-26-19-5-3-4-16(14-19)20(15-21)10-6-17(7-11-20)22-18-8-12-23(13-9-18)27(2,24)25/h3-5,14,17-18,22H,6-13H2,1-2H3