2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[1-(2-thienylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-27-16-7-6-13(10-15(16)19(23)24)11-20-18(22)14-4-2-8-21(12-14)29(25,26)17-5-3-9-28-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,20,22)(H,23,24)