2-oxidanylidene-2-[2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-oxo-2-[2-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-oxo-2-[2-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-oxo-2-[2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-keto-2-[2-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C(=O)C(=O)O

InChI

InChI=1S/C20H16N2O5S2/c23-19(20(24)25)16-11-13-5-1-2-6-14(13)12-22(16)29(26,27)18-9-8-17(28-18)15-7-3-4-10-21-15/h1-10,16H,11-12H2,(H,24,25)