N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]nipecotamide Formula: C25H27N5O3S MolecularWeight: 477.57858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N5O3S/c26-15-20-8-10-21(11-9-20)17-29-19-27-16-23(29)12-13-28-25(31)22-5-4-14-30(18-22)34(32,33)24-6-2-1-3-7-24/h1-3,6-11,16,19,22H,4-5,12-14,17-18H2,(H,28,31)