N-[[2,5-bis(fluoranyl)phenyl]methyl]-2,5-bis(bromanyl)-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]benzenesulfonamide

Systemtic Name: N-[[2,5-bis(fluoranyl)phenyl]methyl]-2,5-bis(bromanyl)-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methylpyrrolidin-3-yl]-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(2,5-difluorobenzyl)benzenesulfonamide Formula: C19H17Br2F2N3O2S MolecularWeight: 549.226986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)N(CC2=C(C=CC(=C2)F)F)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C[C@H]1C[C@@H](CN1C#N)N(CC2=C(C=CC(=C2)F)F)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C19H17Br2F2N3O2S/c1-12-6-16(10-25(12)11-24)26(9-13-7-15(22)3-5-18(13)23)29(27,28)19-8-14(20)2-4-17(19)21/h2-5,7-8,12,16H,6,9-10H2,1H3/t12-,16-/m0/s1