ethyl 2-acetamido-3-[4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoate

Systemtic Name: ethyl 2-acetamido-3-[4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoate Openeye Name: ethyl 2-acetamido-3-[4,7-dimethyl-2-(p-tolylsulfonyl)isoindolin-5-yl]propanoate CAS Name: 2-acetamido-3-[4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoate Traditional Name: 2-acetamido-3-(4,7-dimethyl-2-tosyl-isoindolin-5-yl)propionic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C2=C(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=C1)C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C2=C(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=C1)C)C)NC(=O)C

InChI

InChI=1S/C24H30N2O5S/c1-6-31-24(28)23(25-18(5)27)12-19-11-16(3)21-13-26(14-22(21)17(19)4)32(29,30)20-9-7-15(2)8-10-20/h7-11,23H,6,12-14H2,1-5H3,(H,25,27)