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

Systemtic Name: 2,5-bis(bromanyl)-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(3-phenylpropyl)benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-N-(3-phenylpropyl)benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methylpyrrolidin-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Formula: C21H23Br2N3O2S MolecularWeight: 541.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C[C@H]1C[C@@H](CN1C#N)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C21H23Br2N3O2S/c1-16-12-19(14-25(16)15-24)26(11-5-8-17-6-3-2-4-7-17)29(27,28)21-13-18(22)9-10-20(21)23/h2-4,6-7,9-10,13,16,19H,5,8,11-12,14H2,1H3/t16-,19-/m0/s1