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

Systemtic Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H22FN2O4S+ MolecularWeight: 417.473783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H21FN2O4S/c1-15-5-6-19-16(12-21(25)28-20(19)11-15)14-23-7-9-24(10-8-23)29(26,27)18-4-2-3-17(22)13-18/h2-6,11-13H,7-10,14H2,1H3/p+1