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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O7S2/c1-28-19(24)13-7-8-15(20(25)29-2)16(11-13)21-18(23)14-5-3-9-22(12-14)31(26,27)17-6-4-10-30-17/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3,(H,21,23)