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

Systemtic Name: N-[6-[4-[[3-(2-methylsulfinylphenoxy)-2-oxidanyl-3-phenylmethoxy-propyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[6-[4-[[3-benzyloxy-2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]amino]-1-piperidyl]-3-pyridyl]-4-isopropyl-benzenesulfonamide CAS Name: N-[6-[4-[[2-hydroxy-3-(2-methylsulfinylphenoxy)-3-phenylmethoxypropyl]amino]-1-piperidinyl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[6-[4-[[2-hydroxy-3-(2-methylsulfinylphenoxy)-3-phenylmethoxypropyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[6-[4-[[3-benzoxy-2-hydroxy-3-(2-methylsulfinylphenoxy)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(C(OCC4=CC=CC=C4)OC5=CC=CC=C5S(=O)C)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C=C2)N3CCC(CC3)NCC(C(OCC4=CC=CC=C4)OC5=CC=CC=C5S(=O)C)O

InChI

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