(2-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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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=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S2/c29-26(32-17-23-18-33-25(27-23)20-8-2-1-3-9-20)21-11-6-12-24(15-21)34(30,31)28-14-13-19-7-4-5-10-22(19)16-28/h1-12,15,18H,13-14,16-17H2