N-[(2-imidazol-1-ylphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-imidazol-1-ylphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(2-imidazol-1-ylphenyl)methyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[2-(1-imidazolyl)phenyl]methyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-imidazol-1-ylphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3N4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3N4C=CN=C4

InChI

InChI=1S/C24H28N4O3S/c1-19-6-8-20(9-7-19)17-32(30,31)28-13-10-21(11-14-28)24(29)26-16-22-4-2-3-5-23(22)27-15-12-25-18-27/h2-9,12,15,18,21H,10-11,13-14,16-17H2,1H3,(H,26,29)