dimethyl 5-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H22N2O7S2/c1-28-19(24)14-10-15(20(25)29-2)12-16(11-14)21-18(23)13-5-7-22(8-6-13)31(26,27)17-4-3-9-30-17/h3-4,9-13H,5-8H2,1-2H3,(H,21,23)