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

Systemtic Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)O

InChI

InChI=1S/C21H21FN2O5S/c1-14-19(25)6-5-18-15(11-20(26)29-21(14)18)13-23-7-9-24(10-8-23)30(27,28)17-4-2-3-16(22)12-17/h2-6,11-12,25H,7-10,13H2,1H3