dimethyl 5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-piperidinosulfonylthiophene-2-carbonyl)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)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H22N2O7S2/c1-28-19(24)13-10-14(20(25)29-2)12-15(11-13)21-18(23)17-16(6-9-30-17)31(26,27)22-7-4-3-5-8-22/h6,9-12H,3-5,7-8H2,1-2H3,(H,21,23)