methyl 4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C20H24N2O7S2/c1-27-16-10-14(20(24)29-3)15(11-17(16)28-2)21-19(23)13-6-4-8-22(12-13)31(25,26)18-7-5-9-30-18/h5,7,9-11,13H,4,6,8,12H2,1-3H3,(H,21,23)