dimethyl 5-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-mesylisonipecotoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C17H22N2O7S/c1-25-16(21)12-8-13(17(22)26-2)10-14(9-12)18-15(20)11-4-6-19(7-5-11)27(3,23)24/h8-11H,4-7H2,1-3H3,(H,18,20)