6-fluoranyl-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-7-pyrrolidin-1-yl-quinolin-4-one

Systemtic Name: 6-fluoranyl-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-7-pyrrolidin-1-yl-quinolin-4-one Openeye Name: 6-fluoro-1-(p-tolylmethyl)-3-(p-tolylsulfonyl)-7-pyrrolidin-1-yl-quinolin-4-one CAS Name: 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-7-(1-pyrrolidinyl)-4-quinolinone IUPAC Name: 6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-7-pyrrolidin-1-ylquinolin-4-one Traditional Name: 6-fluoro-1-(4-methylbenzyl)-7-pyrrolidino-3-tosyl-4-quinolone Formula: C28H27FN2O3S MolecularWeight: 490.588983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCCC4)F)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCCC4)F)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H27FN2O3S/c1-19-5-9-21(10-6-19)17-31-18-27(35(33,34)22-11-7-20(2)8-12-22)28(32)23-15-24(29)26(16-25(23)31)30-13-3-4-14-30/h5-12,15-16,18H,3-4,13-14,17H2,1-2H3