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

Systemtic Name: 2,5-bis(bromanyl)-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2-nitrophenyl)methyl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2-nitrophenyl)methyl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-N-[(2-nitrophenyl)methyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methylpyrrolidin-3-yl]-N-[(2-nitrophenyl)methyl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(2-nitrobenzyl)benzenesulfonamide Formula: C19H18Br2N4O4S MolecularWeight: 558.24362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)N(CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18Br2N4O4S/c1-13-8-16(11-23(13)12-22)24(10-14-4-2-3-5-18(14)25(26)27)30(28,29)19-9-15(20)6-7-17(19)21/h2-7,9,13,16H,8,10-11H2,1H3/t13-,16-/m0/s1