4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H23FN2O5S/c1-15-20(26)8-7-19-16(13-21(27)30-22(15)19)14-24-9-2-10-25(12-11-24)31(28,29)18-5-3-17(23)4-6-18/h3-8,13,26H,2,9-12,14H2,1H3