N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetamide Formula: C25H28ClN3O5S MolecularWeight: 518.02492

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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=C(C=C(C(=C4)C)Cl)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=C(C=C(C(=C4)C)Cl)OC

InChI

InChI=1S/C25H28ClN3O5S/c1-16-8-10-29(11-9-16)35(32,33)23-14-28(25(31)19-7-5-4-6-18(19)23)15-24(30)27-21-12-17(2)20(26)13-22(21)34-3/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,30)