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

Systemtic Name: N-[6-[4-[[3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[6-[4-[[3-(4-benzyloxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]-1-piperidyl]-3-pyridyl]-4-isopropyl-benzenesulfonamide CAS Name: N-[6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[6-[4-[[2-hydroxy-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[6-[4-[[3-(4-benzoxy-3-methylsulfinyl-phenoxy)-2-hydroxy-propyl]amino]piperidino]-3-pyridyl]-4-isopropyl-benzenesulfonamide Formula: C36H44N4O6S2 MolecularWeight: 692.88776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCC(CC3)NCC(COC4=CC(=C(C=C4)OCC5=CC=CC=C5)S(=O)C)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCC(CC3)NCC(COC4=CC(=C(C=C4)OCC5=CC=CC=C5)S(=O)C)O

InChI

InChI=1S/C36H44N4O6S2/c1-26(2)28-9-13-33(14-10-28)48(43,44)39-30-11-16-36(38-22-30)40-19-17-29(18-20-40)37-23-31(41)25-45-32-12-15-34(35(21-32)47(3)42)46-24-27-7-5-4-6-8-27/h4-16,21-22,26,29,31,37,39,41H,17-20,23-25H2,1-3H3