3-[3-[(1-methylsulfonylpiperidin-4-yl)methylamino]-6-bicyclo[4.1.0]heptanyl]benzenecarbonitrile

Systemtic Name: 3-[3-[(1-methylsulfonylpiperidin-4-yl)methylamino]-6-bicyclo[4.1.0]heptanyl]benzenecarbonitrile Openeye Name: 3-[4-[(1-methylsulfonyl-4-piperidyl)methylamino]norcaran-1-yl]benzonitrile CAS Name: 3-[3-[(1-methylsulfonyl-4-piperidinyl)methylamino]-6-bicyclo[4.1.0]heptanyl]benzonitrile IUPAC Name: 3-[3-[(1-methylsulfonylpiperidin-4-yl)methylamino]-6-bicyclo[4.1.0]heptanyl]benzonitrile Traditional Name: 3-[4-[(1-mesyl-4-piperidyl)methylamino]norcaran-1-yl]benzonitrile Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CNC2CCC3(CC3C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CNC2CCC3(CC3C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H29N3O2S/c1-27(25,26)24-9-6-16(7-10-24)15-23-20-5-8-21(13-19(21)12-20)18-4-2-3-17(11-18)14-22/h2-4,11,16,19-20,23H,5-10,12-13,15H2,1H3