3-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-7-methoxy-1H-quinolin-4-one

Systemtic Name: 3-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-7-methoxy-1H-quinolin-4-one Openeye Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one CAS Name: 3-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-7-methoxy-1H-quinolin-4-one IUPAC Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one Traditional Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-4-quinolone Formula: C21H19F2N3O5S MolecularWeight: 463.454466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C21H19F2N3O5S/c1-31-14-3-4-15-18(11-14)24-12-16(20(15)27)21(28)25-6-8-26(9-7-25)32(29,30)19-10-13(22)2-5-17(19)23/h2-5,10-12H,6-9H2,1H3,(H,24,27)