2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one

Systemtic Name: 2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one Openeye Name: 2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]isoquinolin-1-one CAS Name: 2-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-isoquinolinone IUPAC Name: 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylpiperidin-1-yl)sulfonylisoquinolin-1-one Traditional Name: 2-[2-keto-2-(2-methylpiperidino)ethyl]-4-(4-methylpiperidino)sulfonyl-isocarbostyril 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)N4CCCCC4C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4C

InChI

InChI=1S/C23H31N3O4S/c1-17-10-13-25(14-11-17)31(29,30)21-15-24(23(28)20-9-4-3-8-19(20)21)16-22(27)26-12-6-5-7-18(26)2/h3-4,8-9,15,17-18H,5-7,10-14,16H2,1-2H3