2-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanoic acid Openeye Name: 2-[2-(p-tolylsulfonyl)isoindolin-5-yl]acetic acid CAS Name: 2-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]acetic acid IUPAC Name: 2-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]acetic acid Traditional Name: 2-(2-tosylisoindolin-5-yl)acetic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C17H17NO4S/c1-12-2-6-16(7-3-12)23(21,22)18-10-14-5-4-13(9-17(19)20)8-15(14)11-18/h2-8H,9-11H2,1H3,(H,19,20)