ethyl 4-[(4-methylphenyl)amino]-6-(methylsulfonylcarbamoyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)amino]-6-(methylsulfonylcarbamoyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-methylanilino)-6-(methylsulfonylcarbamoyl)quinoline-3-carboxylate CAS Name: 6-[methanesulfonamido(oxo)methyl]-4-(4-methylanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylanilino)-6-(methylsulfonylcarbamoyl)quinoline-3-carboxylate Traditional Name: 6-(mesylcarbamoyl)-4-(p-toluidino)quinoline-3-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C21H21N3O5S/c1-4-29-21(26)17-12-22-18-10-7-14(20(25)24-30(3,27)28)11-16(18)19(17)23-15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,22,23)(H,24,25)