ethyl 1-ethyl-4-oxidanylidene-6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-oxidanylidene-6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-4-oxo-6-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate CAS Name: 1-ethyl-4-oxo-6-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-oxo-6-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate Traditional Name: 1-ethyl-4-keto-6-[(3-pyrrolidinosulfonylbenzoyl)amino]quinoline-3-carboxylic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)OCC

InChI

InChI=1S/C25H27N3O6S/c1-3-27-16-21(25(31)34-4-2)23(29)20-15-18(10-11-22(20)27)26-24(30)17-8-7-9-19(14-17)35(32,33)28-12-5-6-13-28/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,26,30)