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

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-7-pyrrolidin-1-yl-quinolin-4-one Openeye Name: 1-benzyl-6-fluoro-3-(p-tolylsulfonyl)-7-pyrrolidin-1-yl-quinolin-4-one CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-7-(1-pyrrolidinyl)-4-quinolinone IUPAC Name: 1-benzyl-6-fluoro-3-(4-methylphenyl)sulfonyl-7-pyrrolidin-1-ylquinolin-4-one Traditional Name: 1-benzyl-6-fluoro-7-pyrrolidino-3-tosyl-4-quinolone Formula: C27H25FN2O3S MolecularWeight: 476.562403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN2O3S/c1-19-9-11-21(12-10-19)34(32,33)26-18-30(17-20-7-3-2-4-8-20)24-16-25(29-13-5-6-14-29)23(28)15-22(24)27(26)31/h2-4,7-12,15-16,18H,5-6,13-14,17H2,1H3