4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylamino]benzenecarbonitrile

Systemtic Name: 4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methylamino]benzenecarbonitrile Openeye Name: 4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methylamino]benzonitrile CAS Name: 4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methylamino]benzonitrile IUPAC Name: 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylamino]benzonitrile Traditional Name: 4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methylamino]benzonitrile Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O2S/c1-2-27-21-11-10-19(30(28,29)26-12-4-3-5-13-26)14-20(21)25-22(27)16-24-18-8-6-17(15-23)7-9-18/h6-11,14,24H,2-5,12-13,16H2,1H3