N-[(1S,2R)-1-(4-bromophenyl)sulfanyl-3-oxidanyl-1-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2R)-1-(4-bromophenyl)sulfanyl-3-oxidanyl-1-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2S)-2-(4-bromophenyl)sulfanyl-1-(hydroxymethyl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2R)-1-[(4-bromophenyl)thio]-3-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2R)-1-(4-bromophenyl)sulfanyl-3-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-[(4-bromophenyl)thio]-1-methylol-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C22H22BrNO3S2 MolecularWeight: 492.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CO)[C@H](C2=CC=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO3S2/c1-16-7-13-20(14-8-16)29(26,27)24-21(15-25)22(17-5-3-2-4-6-17)28-19-11-9-18(23)10-12-19/h2-14,21-22,24-25H,15H2,1H3/t21-,22+/m1/s1