1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]isonipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H30N4O3S/c1-16(2)13-25-19(14-24-10-8-18(9-11-24)20(22)26)12-23-21(25)29(27,28)15-17-6-4-3-5-7-17/h3-7,12,16,18H,8-11,13-15H2,1-2H3,(H2,22,26)