2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[1-(2-thienylsulfonyl)isonipecotoyl]amino]methyl]benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-27-16-5-4-13(11-15(16)19(23)24)12-20-18(22)14-6-8-21(9-7-14)29(25,26)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,20,22)(H,23,24)