diethyl 5-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H27N3O7S/c1-3-32-22(28)17-12-18(23(29)33-4-2)14-19(13-17)25-21(27)16-7-10-26(11-8-16)34(30,31)20-6-5-9-24-15-20/h5-6,9,12-16H,3-4,7-8,10-11H2,1-2H3,(H,25,27)