ethyl 5-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-1-(phenylmethyl)quinoline-6-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-1-(phenylmethyl)quinoline-6-carboxylate Openeye Name: ethyl 1-benzyl-5-(4-bromophenyl)-2-oxo-3-(p-tolylsulfonyl)quinoline-6-carboxylate CAS Name: 5-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-2-oxo-1-(phenylmethyl)-6-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-2-oxoquinoline-6-carboxylate Traditional Name: 1-benzyl-5-(4-bromophenyl)-2-keto-3-tosyl-quinoline-6-carboxylic acid ethyl ester Formula: C32H26BrNO5S MolecularWeight: 616.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)N(C(=O)C(=C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)N(C(=O)C(=C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H26BrNO5S/c1-3-39-32(36)26-17-18-28-27(30(26)23-11-13-24(33)14-12-23)19-29(40(37,38)25-15-9-21(2)10-16-25)31(35)34(28)20-22-7-5-4-6-8-22/h4-19H,3,20H2,1-2H3