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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: 2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]-N-o-anisyl-acetamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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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)NCC4=CC=CC=C4OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C25H29N3O5S/c1-18-11-13-28(14-12-18)34(31,32)23-16-27(25(30)21-9-5-4-8-20(21)23)17-24(29)26-15-19-7-3-6-10-22(19)33-2/h3-10,16,18H,11-15,17H2,1-2H3,(H,26,29)