N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-cyclohexyl-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-cyclohexyl-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-cyclohexyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-cyclohexyl-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetamide Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4CCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4CCCCC4

InChI

InChI=1S/C23H31N3O4S/c1-17-11-13-26(14-12-17)31(29,30)21-15-25(23(28)20-10-6-5-9-19(20)21)16-22(27)24-18-7-3-2-4-8-18/h5-6,9-10,15,17-18H,2-4,7-8,11-14,16H2,1H3,(H,24,27)