4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazino]methyl]-7-ethyl-coumarin Formula: C22H22F2N2O4S MolecularWeight: 448.482886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C22H22F2N2O4S/c1-2-15-6-7-17-16(13-21(27)30-20(17)12-15)14-25-8-10-26(11-9-25)31(28,29)22-18(23)4-3-5-19(22)24/h3-7,12-13H,2,8-11,14H2,1H3