3-oxidanylidene-3-[4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenoxy]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenoxy]propanoic acid Openeye Name: 3-[4-[2-(4-benzyl-3-hydroxy-1-piperidyl)ethylsulfonyl]phenoxy]-3-oxo-propanoic acid CAS Name: 3-[4-[2-[3-hydroxy-4-(phenylmethyl)-1-piperidinyl]ethylsulfonyl]phenoxy]-3-oxopropanoic acid IUPAC Name: 3-[4-[2-(4-benzyl-3-hydroxypiperidin-1-yl)ethylsulfonyl]phenoxy]-3-oxopropanoic acid Traditional Name: 3-[4-[2-(4-benzyl-3-hydroxy-piperidino)ethylsulfonyl]phenoxy]-3-keto-propionic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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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)OC(=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO7S/c25-21-16-24(11-10-18(21)14-17-4-2-1-3-5-17)12-13-32(29,30)20-8-6-19(7-9-20)31-23(28)15-22(26)27/h1-9,18,21,25H,10-16H2,(H,26,27)