2,5-bis(bromanyl)-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)pyrrolidin-3-yl]benzenesulfonamide

Systemtic Name: 2,5-bis(bromanyl)-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)pyrrolidin-3-yl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)pyrrolidin-3-yl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)-3-pyrrolidinyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)pyrrolidin-3-yl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-(phenoxymethyl)pyrrolidin-3-yl]benzenesulfonamide Formula: C18H17Br2N3O3S MolecularWeight: 515.21888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COC2=CC=CC=C2)C#N)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C1[C@H](CN([C@H]1COC2=CC=CC=C2)C#N)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C18H17Br2N3O3S/c19-13-6-7-17(20)18(8-13)27(24,25)22-14-9-15(23(10-14)12-21)11-26-16-4-2-1-3-5-16/h1-8,14-15,22H,9-11H2/t14-,15-/m1/s1