[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O6S/c26-20-13-18(17-8-1-2-9-19(17)24-20)22(28)31-14-21(27)23-15-6-5-7-16(12-15)32(29,30)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)(H,24,26)