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

Systemtic Name: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[4-[(4-ethyl-1-piperazinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[4-(4-ethylpiperazino)sulfonyl-1-keto-2-isoquinolyl]acetic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-2-18-7-9-20(10-8-18)26(24,25)15-11-19(12-16(21)22)17(23)14-6-4-3-5-13(14)15/h3-6,11H,2,7-10,12H2,1H3,(H,21,22)