3-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[[4-(4-fluorobenzyl)piperazino]methyl]piperidino]sulfonylbenzonitrile Formula: C24H29FN4O2S MolecularWeight: 456.576063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2)CC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2)CC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H29FN4O2S/c25-23-6-4-20(5-7-23)18-27-12-14-28(15-13-27)19-21-8-10-29(11-9-21)32(30,31)24-3-1-2-22(16-24)17-26/h1-7,16,21H,8-15,18-19H2