(4-propan-2-ylsulfonylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-propan-2-ylsulfonylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (4-isopropylsulfonylphenyl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (4-propan-2-ylsulfonylphenyl)methyl ester IUPAC Name: (4-propan-2-ylsulfonylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (4-isopropylsulfonylbenzyl) ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H25NO4S/c1-18(2)33(30,31)22-14-10-20(11-15-22)17-32-27(29)24-16-26(21-12-8-19(3)9-13-21)28-25-7-5-4-6-23(24)25/h4-16,18H,17H2,1-3H3