4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-bromanyl-chromen-2-one

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-bromanyl-chromen-2-one Openeye Name: 7-bromo-4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[4-(2,6-difluorophenyl)sulfonylpiperazino]methyl]coumarin Formula: C20H17BrF2N2O4S MolecularWeight: 499.325786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)Br)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)Br)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H17BrF2N2O4S/c21-14-4-5-15-13(10-19(26)29-18(15)11-14)12-24-6-8-25(9-7-24)30(27,28)20-16(22)2-1-3-17(20)23/h1-5,10-11H,6-9,12H2