3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-1-(phenylmethyl)-7-pyrrolidin-1-yl-quinolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-1-(phenylmethyl)-7-pyrrolidin-1-yl-quinolin-4-one Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-7-pyrrolidin-1-yl-quinolin-4-one CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-1-(phenylmethyl)-7-(1-pyrrolidinyl)-4-quinolinone IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-7-pyrrolidin-1-ylquinolin-4-one Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-7-pyrrolidino-4-quinolone Formula: C28H27FN2O3S MolecularWeight: 490.588983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H27FN2O3S/c1-19-10-11-22(14-20(19)2)35(33,34)27-18-31(17-21-8-4-3-5-9-21)25-16-26(30-12-6-7-13-30)24(29)15-23(25)28(27)32/h3-5,8-11,14-16,18H,6-7,12-13,17H2,1-2H3