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

Systemtic Name: 6-ethyl-8-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-8-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-ethyl-8-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-8-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-ethyl-8-[[4-(2-fluorophenyl)sulfonylpiperazino]methyl]-7-hydroxy-4-methyl-coumarin Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)O

InChI

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