4-[4-(4-phenethylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-phenethylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(4-phenethylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-phenethyl-1-piperidinyl)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-phenethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-phenethylpiperidine-1-carbonyl)piperidino]sulfonylbenzonitrile Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H31N3O3S/c27-20-23-8-10-25(11-9-23)33(31,32)29-18-14-24(15-19-29)26(30)28-16-12-22(13-17-28)7-6-21-4-2-1-3-5-21/h1-5,8-11,22,24H,6-7,12-19H2