4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C19H22N2O7S2/c1-27-15-10-13(19(23)24)14(11-16(15)28-2)20-18(22)12-5-7-21(8-6-12)30(25,26)17-4-3-9-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,20,22)(H,23,24)