1-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 2-p-cumenyl-1-tosyl-3-pyrroline-3-carboxylic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-14(2)16-6-8-17(9-7-16)20-19(21(23)24)12-13-22(20)27(25,26)18-10-4-15(3)5-11-18/h4-12,14,20H,13H2,1-3H3,(H,23,24)