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

Systemtic Name: 1-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]indole-6-carboximidamide Openeye Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]indole-6-carboxamidine CAS Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-6-indolecarboximidamide IUPAC Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]indole-6-carboximidamide Traditional Name: 1-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]indole-6-carboxamidine Formula: C27H25FN4O3S MolecularWeight: 504.575803

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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)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)N)F

InChI

InChI=1S/C27H25FN4O3S/c1-36(34,35)25-7-3-2-5-20(25)18-10-11-22(21(28)15-18)32-13-4-6-23(27(32)33)31-14-12-17-8-9-19(26(29)30)16-24(17)31/h2-3,5,7-12,14-16,23H,4,6,13H2,1H3,(H3,29,30)