[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H23N3O5S/c1-14-9-10-16(31(28,29)25(3)4)12-20(14)24-21(26)13-30-22(27)18-11-15(2)23-19-8-6-5-7-17(18)19/h5-12H,13H2,1-4H3,(H,24,26)