(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(SN=N4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(SN=N4)Cl

InChI

InChI=1S/C19H16ClN3O4S2/c20-18-17(21-22-28-18)12-27-19(24)14-6-3-7-16(10-14)29(25,26)23-9-8-13-4-1-2-5-15(13)11-23/h1-7,10H,8-9,11-12H2