(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)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 (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)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 (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C32H38N2O5S MolecularWeight: 562.71952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C)C(C)(C)C

InChI

InChI=1S/C32H38N2O5S/c1-21-17-25(32(4,5)6)18-22(2)29(21)20-39-31(36)19-30-28-10-8-7-9-24(28)15-16-34(30)40(37,38)27-13-11-26(12-14-27)33-23(3)35/h7-14,17-18,30H,15-16,19-20H2,1-6H3,(H,33,35)