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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-anilinothiazol-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-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-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-anilinothiazol-4-yl)methyl ester Formula: C26H22ClN3O4S2 MolecularWeight: 540.05358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H22ClN3O4S2/c27-23-11-10-19(14-24(23)36(32,33)30-13-12-18-6-4-5-7-20(18)15-30)25(31)34-16-22-17-35-26(29-22)28-21-8-2-1-3-9-21/h1-11,14,17H,12-13,15-16H2,(H,28,29)