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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-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 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C26H21ClN2O4S2 MolecularWeight: 525.03894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O4S2/c27-23-11-10-20(26(30)33-16-22-17-34-25(28-22)19-7-2-1-3-8-19)14-24(23)35(31,32)29-13-12-18-6-4-5-9-21(18)15-29/h1-11,14,17H,12-13,15-16H2