ethyl 4-(1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-quinolin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-quinolin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonyl-quinoline-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[1-methyl-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-1-methyl-6-pyrrolidinosulfonyl-quinoline-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H28N4O6S/c1-3-32-22(29)25-12-10-24(11-13-25)21(28)18-15-23(2)19-7-6-16(14-17(19)20(18)27)33(30,31)26-8-4-5-9-26/h6-7,14-15H,3-5,8-13H2,1-2H3