(2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-1-tosyl-pipecolinamide Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O3S/c1-13-5-8-15(9-6-13)27(25,26)23-11-3-2-4-18(23)19(24)22-17-10-7-14(20)12-16(17)21/h5-10,12,18H,2-4,11H2,1H3,(H,22,24)/t18-/m0/s1