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

Systemtic Name: ethyl 2-acetamido-3-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoate Openeye Name: ethyl 2-acetamido-3-[2-(p-tolylsulfonyl)isoindolin-5-yl]propanoate CAS Name: 2-acetamido-3-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]propanoate Traditional Name: 2-acetamido-3-(2-tosylisoindolin-5-yl)propionic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)NC(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-4-29-22(26)21(23-16(3)25)12-17-7-8-18-13-24(14-19(18)11-17)30(27,28)20-9-5-15(2)6-10-20/h5-11,21H,4,12-14H2,1-3H3,(H,23,25)