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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-methylphenyl)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-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid (2-anilinothiazol-4-yl)methyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S2/c1-20-11-13-24(14-12-20)37(33,34)31-16-15-21-7-5-6-10-25(21)26(31)17-27(32)35-18-23-19-36-28(30-23)29-22-8-3-2-4-9-22/h2-14,19,26H,15-18H2,1H3,(H,29,30)