1-cyclopropyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carbonitrile

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carbonitrile Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-quinoline-3-carbonitrile CAS Name: 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-3-quinolinecarbonitrile IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxoquinoline-3-carbonitrile Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[mesyl(phenyl)methyl]quinoline-3-carbonitrile Formula: C21H16F2N2O3S MolecularWeight: 414.425146

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1=CC=CC=C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C#N)C4CC4)F

Isomeric SMILES

CS(=O)(=O)C(C1=CC=CC=C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C#N)C4CC4)F

InChI

InChI=1S/C21H16F2N2O3S/c1-29(27,28)21(12-5-3-2-4-6-12)17-16(22)9-15-19(18(17)23)25(14-7-8-14)11-13(10-24)20(15)26/h2-6,9,11,14,21H,7-8H2,1H3