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

Systemtic Name: 7-(azepan-1-yl)-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-1-methyl-quinolin-4-one Openeye Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-methyl-quinolin-4-one CAS Name: 7-(1-azepanyl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-methyl-4-quinolinone IUPAC Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one Traditional Name: 7-(azepan-1-yl)-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-methyl-4-quinolone Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCCCC3)F)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25FN2O4S/c1-25-15-22(31(28,29)17-9-7-16(30-2)8-10-17)23(27)18-13-19(24)21(14-20(18)25)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3