N-[5-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanesulfonamide

Systemtic Name: N-[5-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanesulfonamide Openeye Name: N-[2-hydroxy-5-[1-hydroxy-2-[[1-(p-tolylsulfonyl)-4-piperidyl]methylamino]ethyl]phenyl]methanesulfonamide CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methylamino]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]ethyl]phenyl]methanesulfonamide Traditional Name: N-[2-hydroxy-5-[1-hydroxy-2-[(1-tosyl-4-piperidyl)methylamino]ethyl]phenyl]methanesulfonamide Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

InChI

InChI=1S/C22H31N3O6S2/c1-16-3-6-19(7-4-16)33(30,31)25-11-9-17(10-12-25)14-23-15-22(27)18-5-8-21(26)20(13-18)24-32(2,28)29/h3-8,13,17,22-24,26-27H,9-12,14-15H2,1-2H3