N-[(2R)-1-(4-bromophenyl)-3-cyano-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-(4-bromophenyl)-3-cyano-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-[(4-bromophenyl)methyl]-2-cyano-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-(4-bromophenyl)-3-cyanopropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-(4-bromophenyl)-3-cyanopropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(4-bromobenzyl)-2-cyano-ethyl]-2-nitro-benzenesulfonamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(CC#N)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N[C@@H](CC#N)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrN3O4S/c17-13-7-5-12(6-8-13)11-14(9-10-18)19-25(23,24)16-4-2-1-3-15(16)20(21)22/h1-8,14,19H,9,11H2/t14-/m0/s1