4-[5-methyl-6-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxy-pyrimidin-4-yl]oxybenzenesulfonic acid

Systemtic Name: 4-[5-methyl-6-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxy-pyrimidin-4-yl]oxybenzenesulfonic acid Openeye Name: 4-[6-[(1-isopropoxycarbonyl-4-piperidyl)oxy]-5-methyl-pyrimidin-4-yl]oxybenzenesulfonic acid CAS Name: 4-[[5-methyl-6-[[1-[oxo(propan-2-yloxy)methyl]-4-piperidinyl]oxy]-4-pyrimidinyl]oxy]benzenesulfonic acid IUPAC Name: 4-[5-methyl-6-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxypyrimidin-4-yl]oxybenzenesulfonic acid Traditional Name: 4-[6-[(1-isopropoxycarbonyl-4-piperidyl)oxy]-5-methyl-pyrimidin-4-yl]oxybesylic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H25N3O7S/c1-13(2)28-20(24)23-10-8-16(9-11-23)30-19-14(3)18(21-12-22-19)29-15-4-6-17(7-5-15)31(25,26)27/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,26,27)