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

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]-N-(4-phenoxyphenyl)acetamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O5S/c1-21-15-17-32(18-16-21)38(35,36)27-19-31(29(34)26-10-6-5-9-25(26)27)20-28(33)30-22-11-13-24(14-12-22)37-23-7-3-2-4-8-23/h2-14,19,21H,15-18,20H2,1H3,(H,30,33)