4-bromanyl-N-[6-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[6-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]-3-pyridyl]benzenesulfonamide CAS Name: 4-bromo-N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]-3-pyridyl]benzenesulfonamide Formula: C26H31BrN4O6S2 MolecularWeight: 639.58154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)O)O

InChI

InChI=1S/C26H31BrN4O6S2/c1-38(34)25-14-22(5-8-24(25)33)37-17-21(32)16-28-19-10-12-31(13-11-19)26-9-4-20(15-29-26)30-39(35,36)23-6-2-18(27)3-7-23/h2-9,14-15,19,21,28,30,32-33H,10-13,16-17H2,1H3