(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-anilinothiazol-4-yl)methyl ester Formula: C29H28N4O5S2 MolecularWeight: 576.68642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O5S2/c1-20(34)30-23-11-13-25(14-12-23)40(36,37)33-16-15-21-7-5-6-10-26(21)27(33)17-28(35)38-18-24-19-39-29(32-24)31-22-8-3-2-4-9-22/h2-14,19,27H,15-18H2,1H3,(H,30,34)(H,31,32)