3-[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[3-[2-(dimethylaminomethyl)phenyl]phenoxy]piperidino]sulfonylbenzonitrile Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H29N3O3S/c1-29(2)20-23-8-3-4-12-27(23)22-9-6-10-25(18-22)33-24-13-15-30(16-14-24)34(31,32)26-11-5-7-21(17-26)19-28/h3-12,17-18,24H,13-16,20H2,1-2H3