[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S2/c1-4-30(5-2)37(33,34)25-15-19(13-12-18(25)3)28-26(31)17-35-27(32)21-16-23(24-11-8-14-36-24)29-22-10-7-6-9-20(21)22/h6-16H,4-5,17H2,1-3H3,(H,28,31)