(4-morpholin-4-ylsulfonylphenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-morpholinosulfonylphenyl)methyl 4-[(5-bromo-8-quinolyl)amino]-4-oxo-butanoate CAS Name: 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid [4-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)methyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-bromo-8-quinolyl)amino]-4-keto-butyric acid (4-morpholinosulfonylbenzyl) ester Formula: C24H24BrN3O6S MolecularWeight: 562.43286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)CCC(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)CCC(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C24H24BrN3O6S/c25-20-7-8-21(24-19(20)2-1-11-26-24)27-22(29)9-10-23(30)34-16-17-3-5-18(6-4-17)35(31,32)28-12-14-33-15-13-28/h1-8,11H,9-10,12-16H2,(H,27,29)