4-[4-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidyl]sulfonyl]phenyl]benzonitrile CAS Name: 4-[4-[[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylphenyl]benzonitrile Traditional Name: 4-[4-[[1-(3,5-dimethoxybenzyl)-4-piperidyl]sulfonyl]phenyl]benzonitrile Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C27H28N2O4S/c1-32-24-15-21(16-25(17-24)33-2)19-29-13-11-27(12-14-29)34(30,31)26-9-7-23(8-10-26)22-5-3-20(18-28)4-6-22/h3-10,15-17,27H,11-14,19H2,1-2H3