1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(4-bromanyl-3-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(4-bromanyl-3-methyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(2,5-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(2,5-difluorophenyl)sulfonyl-isonipecotamide Formula: C19H19BrF2N2O3S MolecularWeight: 473.331566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)Br

InChI

InChI=1S/C19H19BrF2N2O3S/c1-12-10-15(3-4-16(12)20)23-19(25)13-6-8-24(9-7-13)28(26,27)18-11-14(21)2-5-17(18)22/h2-5,10-11,13H,6-9H2,1H3,(H,23,25)