N-[6-[4-[[3-(3-methylsulfinyl-4-oxidanyl-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-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]-3-pyridyl]-4-isopropyl-benzenesulfonamide CAS Name: N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]-3-pyridyl]-4-isopropyl-benzenesulfonamide Formula: C29H38N4O6S2 MolecularWeight: 602.76522

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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)O)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)O)S(=O)C)O

InChI

InChI=1S/C29H38N4O6S2/c1-20(2)21-4-8-26(9-5-21)41(37,38)32-23-6-11-29(31-17-23)33-14-12-22(13-15-33)30-18-24(34)19-39-25-7-10-27(35)28(16-25)40(3)36/h4-11,16-17,20,22,24,30,32,34-35H,12-15,18-19H2,1-3H3