methyl 3-methoxy-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)oxy-benzoate

Systemtic Name: methyl 3-methoxy-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)oxy-benzoate Openeye Name: methyl 3-methoxy-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)oxy]benzoate CAS Name: 3-methoxy-4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)oxybenzoate Traditional Name: 3-methoxy-4-[(5-pyrrolidinosulfonyl-2-pyridyl)oxy]benzoic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O6S/c1-24-16-11-13(18(21)25-2)5-7-15(16)26-17-8-6-14(12-19-17)27(22,23)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3