4-bromanyl-N-[4-[2-[[(2S)-2-oxidanyl-3-pyridin-3-yloxy-propyl]amino]ethyl]phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[4-[2-[[(2S)-2-oxidanyl-3-pyridin-3-yloxy-propyl]amino]ethyl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[2-[[(2S)-2-hydroxy-3-(3-pyridyloxy)propyl]amino]ethyl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[2-[[(2S)-2-hydroxy-3-(3-pyridinyloxy)propyl]amino]ethyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[2-[[(2S)-2-hydroxy-3-(3-pyridyloxy)propyl]amino]ethyl]phenyl]benzenesulfonamide Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OCC(CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC(=CN=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H24BrN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1