methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoate Openeye Name: methyl 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetate CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-13-7-9-20(10-8-13)26(23,24)16-11-19(12-17(21)25-2)18(22)15-6-4-3-5-14(15)16/h3-6,11,13H,7-10,12H2,1-2H3