3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]benzonitrile CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20N2O2S/c20-15-18-7-4-8-19(14-18)24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13H2