N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(4-bromophenyl)-2-cyano-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)Br)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=C(C=C2)Br)[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19BrN2O2S/c1-16-7-13-20(14-8-16)28(26,27)25-22(18-9-11-19(23)12-10-18)21(15-24)17-5-3-2-4-6-17/h2-14,21-22,25H,1H3/t21-,22+/m1/s1