1-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]indole-6-carbonitrile

Systemtic Name: 1-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]indole-6-carbonitrile Openeye Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]indole-6-carbonitrile CAS Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-6-indolecarbonitrile IUPAC Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]indole-6-carbonitrile Traditional Name: 1-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]indole-6-carbonitrile Formula: C27H22FN3O3S MolecularWeight: 487.545283

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)N4C=CC5=C4C=C(C=C5)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)N4C=CC5=C4C=C(C=C5)C#N)F

InChI

InChI=1S/C27H22FN3O3S/c1-35(33,34)26-7-3-2-5-21(26)20-10-11-23(22(28)16-20)31-13-4-6-24(27(31)32)30-14-12-19-9-8-18(17-29)15-25(19)30/h2-3,5,7-12,14-16,24H,4,6,13H2,1H3