[4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenyl] dihydrogen phosphate Openeye Name: [4-[2-(4-benzyl-3-hydroxy-1-piperidyl)ethylsulfonyl]phenyl] dihydrogen phosphate CAS Name: [4-[2-[3-hydroxy-4-(phenylmethyl)-1-piperidinyl]ethylsulfonyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[2-(4-benzyl-3-hydroxypiperidin-1-yl)ethylsulfonyl]phenyl] dihydrogen phosphate Traditional Name: [4-[2-(4-benzyl-3-hydroxy-piperidino)ethylsulfonyl]phenyl] dihydrogen phosphate Formula: C20H26NO7PS MolecularWeight: 455.461701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC2=CC=CC=C2)O)CCS(=O)(=O)C3=CC=C(C=C3)OP(=O)(O)O

Isomeric SMILES

C1CN(CC(C1CC2=CC=CC=C2)O)CCS(=O)(=O)C3=CC=C(C=C3)OP(=O)(O)O

InChI

InChI=1S/C20H26NO7PS/c22-20-15-21(11-10-17(20)14-16-4-2-1-3-5-16)12-13-30(26,27)19-8-6-18(7-9-19)28-29(23,24)25/h1-9,17,20,22H,10-15H2,(H2,23,24,25)