N-[(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R)-2-[(2,6-dimethylphenyl)thio]-1-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R)-2-[(2,6-dimethylphenyl)thio]-1-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C23H25NO2S2 MolecularWeight: 411.5801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=C(C=CC=C2C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSC2=C(C=CC=C2C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO2S2/c1-17-12-14-21(15-13-17)28(25,26)24-22(20-10-5-4-6-11-20)16-27-23-18(2)8-7-9-19(23)3/h4-15,22,24H,16H2,1-3H3/t22-/m0/s1