methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H25FN2O7S MolecularWeight: 480.506503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H25FN2O7S/c1-30-19-12-17(22(27)32-3)18(13-20(19)31-2)24-21(26)14-8-10-25(11-9-14)33(28,29)16-6-4-15(23)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,24,26)