2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxylic acid Openeye Name: 2-(p-tolylsulfonyl)isoindoline-5-carboxylic acid CAS Name: 2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxylic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxylic acid Traditional Name: 2-tosylisoindoline-5-carboxylic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-11-2-6-15(7-3-11)22(20,21)17-9-13-5-4-12(16(18)19)8-14(13)10-17/h2-8H,9-10H2,1H3,(H,18,19)