[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C22H20N2O6S2/c25-19-12-17(23-32(28,29)21-6-3-11-31-21)7-8-18(19)22(27)30-14-20(26)24-10-9-15-4-1-2-5-16(15)13-24/h1-8,11-12,23,25H,9-10,13-14H2