diethyl 5-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-methylsulfonyl-3-piperidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-mesylnipecotoyl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C19H26N2O7S/c1-4-27-18(23)14-9-15(19(24)28-5-2)11-16(10-14)20-17(22)13-7-6-8-21(12-13)29(3,25)26/h9-11,13H,4-8,12H2,1-3H3,(H,20,22)