7-(azepan-1-yl)-6-fluoranyl-1-methyl-3-(3-methylphenyl)sulfonyl-quinolin-4-one

Systemtic Name: 7-(azepan-1-yl)-6-fluoranyl-1-methyl-3-(3-methylphenyl)sulfonyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-6-fluoro-1-methyl-3-(m-tolylsulfonyl)quinolin-4-one CAS Name: 7-(1-azepanyl)-6-fluoro-1-methyl-3-(3-methylphenyl)sulfonyl-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-6-fluoro-1-methyl-3-(3-methylphenyl)sulfonylquinolin-4-one Traditional Name: 7-(azepan-1-yl)-6-fluoro-1-methyl-3-(m-tolylsulfonyl)-4-quinolone Formula: C23H25FN2O3S MolecularWeight: 428.519603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCCCC4)C

InChI

InChI=1S/C23H25FN2O3S/c1-16-8-7-9-17(12-16)30(28,29)22-15-25(2)20-14-21(19(24)13-18(20)23(22)27)26-10-5-3-4-6-11-26/h7-9,12-15H,3-6,10-11H2,1-2H3