N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: 9-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)bicyclo[3.3.1]nonane-3-carboxamide Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C22H30N2O4S/c1-15-8-9-19(29(27,28)24-10-3-2-4-11-24)14-20(15)23-22(26)18-12-16-6-5-7-17(13-18)21(16)25/h8-9,14,16-18H,2-7,10-13H2,1H3,(H,23,26)