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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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