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

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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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)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C25H23N3O5S2/c1-16-10-11-17(35(31,32)28(2)3)13-21(16)27-24(29)15-33-25(30)19-14-22(23-9-6-12-34-23)26-20-8-5-4-7-18(19)20/h4-14H,15H2,1-3H3,(H,27,29)