4-(3-methoxyphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine-4-carbonitrile

Systemtic Name: 4-(3-methoxyphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine-4-carbonitrile Openeye Name: 4-(3-methoxyphenyl)-1-[1-(p-tolylsulfonyl)-4-piperidyl]piperidine-4-carbonitrile CAS Name: 4-(3-methoxyphenyl)-1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-piperidinecarbonitrile IUPAC Name: 4-(3-methoxyphenyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine-4-carbonitrile Traditional Name: 4-(3-methoxyphenyl)-1-(1-tosyl-4-piperidyl)isonipecotonitrile Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCC(CC3)(C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCC(CC3)(C#N)C4=CC(=CC=C4)OC

InChI

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