3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1H-quinolin-2-one

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1H-quinolin-2-one Openeye Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one Traditional Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]carbostyril Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H20FN3O4S/c22-16-6-8-17(9-7-16)30(28,29)25-11-3-10-24(12-13-25)21(27)18-14-15-4-1-2-5-19(15)23-20(18)26/h1-2,4-9,14H,3,10-13H2,(H,23,26)