2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-6-methyl-chromone Formula: C21H18ClFN2O5S MolecularWeight: 464.894423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN2O5S/c1-13-2-5-19-15(10-13)18(26)12-20(30-19)21(27)24-6-8-25(9-7-24)31(28,29)14-3-4-17(23)16(22)11-14/h2-5,10-12H,6-9H2,1H3