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

Systemtic Name: N-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-cyano-N-phenyl-benzenesulfonamide Openeye Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-4-cyano-N-phenyl-benzenesulfonamide CAS Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-4-cyano-N-phenylbenzenesulfonamide IUPAC Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-4-cyano-N-phenylbenzenesulfonamide Traditional Name: N-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-4-cyano-N-phenyl-benzenesulfonamide Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O4S/c23-18-8-10-21(11-9-18)29-16-20(26)15-25(19-4-2-1-3-5-19)30(27,28)22-12-6-17(14-24)7-13-22/h1-13,20,26H,15-16H2/t20-/m0/s1