2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-12-6-8-19(9-7-12)25(23,24)15-10-18(11-16(20)21)17(22)14-5-3-2-4-13(14)15/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)