N-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-N-phenyl-benzenesulfonamide

Systemtic Name: N-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-N-phenyl-benzenesulfonamide CAS Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-N-phenylbenzenesulfonamide Traditional Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-N-phenyl-benzenesulfonamide Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(COC2=CC=C(C=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(C[C@@H](COC2=CC=C(C=C2)Br)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO4S/c22-17-11-13-20(14-12-17)27-16-19(24)15-23(18-7-3-1-4-8-18)28(25,26)21-9-5-2-6-10-21/h1-14,19,24H,15-16H2/t19-/m0/s1