7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one

Systemtic Name: 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one Openeye Name: 7-[(3R,5R)-3,5-dimethyl-1-piperidyl]-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-quinolin-4-one CAS Name: 7-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-4-quinolinone IUPAC Name: 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propylquinolin-4-one Traditional Name: 7-[(3R,5R)-3,5-dimethylpiperidino]-6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-propyl-4-quinolone Formula: C26H31FN2O4S MolecularWeight: 486.598743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC(CC(C3)C)C)F)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3C[C@@H](C[C@H](C3)C)C)F)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H31FN2O4S/c1-5-10-28-16-25(34(31,32)20-8-6-19(33-4)7-9-20)26(30)21-12-22(27)24(13-23(21)28)29-14-17(2)11-18(3)15-29/h6-9,12-13,16-18H,5,10-11,14-15H2,1-4H3/t17-,18-/m1/s1