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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-anilinothiazol-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-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-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-anilinothiazol-4-yl)methyl ester Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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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)NC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4S2/c30-25(33-17-23-18-34-26(28-23)27-22-10-2-1-3-11-22)20-9-6-12-24(15-20)35(31,32)29-14-13-19-7-4-5-8-21(19)16-29/h1-12,15,18H,13-14,16-17H2,(H,27,28)