1-cyclopropyl-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-methoxy-7-[1-methyl-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-(1-methyl-2-tosyl-isoindolin-5-yl)quinoline-3-carboxylic acid Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC

Isomeric SMILES

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC

InChI

InChI=1S/C30H28N2O6S/c1-17-4-9-22(10-5-17)39(36,37)32-15-20-14-19(6-11-23(20)18(32)2)24-12-13-25-27(29(24)38-3)31(21-7-8-21)16-26(28(25)33)30(34)35/h4-6,9-14,16,18,21H,7-8,15H2,1-3H3,(H,34,35)