methyl 2-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(5-fluoro-2-methoxy-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(5-fluoro-2-methoxy-phenyl)sulfonylnipecotoyl]amino]benzoic acid methyl ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23FN2O6S/c1-29-18-10-9-15(22)12-19(18)31(27,28)24-11-5-6-14(13-24)20(25)23-17-8-4-3-7-16(17)21(26)30-2/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,23,25)