2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-6-methyl-chromen-4-one

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-6-methyl-chromen-4-one Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methyl-chromone Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O5S/c1-15-3-8-20-18(13-15)19(26)14-21(30-20)22(27)24-9-2-10-25(12-11-24)31(28,29)17-6-4-16(23)5-7-17/h3-8,13-14H,2,9-12H2,1H3