ethyl 4-[[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(5-methylsulfonylpyrimidin-4-yl)piperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(5-methylsulfonylpyrimidin-4-yl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[3-(5-mesylpyrimidin-4-yl)piperidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

InChI

InChI=1S/C20H24N4O5S/c1-3-29-19(25)14-6-8-16(9-7-14)23-20(26)24-10-4-5-15(12-24)18-17(30(2,27)28)11-21-13-22-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,23,26)