1-[(3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-3-yl]-3-methyl-butan-1-one Openeye Name: 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-3-methylbutan-1-one Traditional Name: 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-3-piperidyl]-3-methyl-butan-1-one Formula: C22H37N3O3S MolecularWeight: 423.61248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CCCN(C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)[C@H]1CCCN(C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H37N3O3S/c1-17(2)12-21(26)19-10-7-11-24(15-19)16-20-13-23-22(29(3,27)28)25(20)14-18-8-5-4-6-9-18/h13,17-19H,4-12,14-16H2,1-3H3/t19-/m0/s1