6-ethyl-8-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-8-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-8-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-ethyl-8-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-8-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-ethyl-8-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-coumarin Formula: C23H26FN2O5S+ MolecularWeight: 461.526343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)O

InChI

InChI=1S/C23H25FN2O5S/c1-3-16-12-19-15(2)11-21(27)31-23(19)20(22(16)28)14-25-7-9-26(10-8-25)32(29,30)18-6-4-5-17(24)13-18/h4-6,11-13,28H,3,7-10,14H2,1-2H3/p+1