3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-8-methoxy-chromen-2-one

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-8-methoxy-chromen-2-one Openeye Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-8-methoxy-coumarin Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O6S/c1-30-19-5-2-4-15-14-18(22(27)31-20(15)19)21(26)24-10-3-11-25(13-12-24)32(28,29)17-8-6-16(23)7-9-17/h2,4-9,14H,3,10-13H2,1H3