1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H20N2O4S2 MolecularWeight: 464.5566

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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=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H20N2O4S2/c27-24(30-16-23-25-21-10-3-4-11-22(21)31-23)18-8-5-9-20(14-18)32(28,29)26-13-12-17-6-1-2-7-19(17)15-26/h1-11,14H,12-13,15-16H2