2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]terephthalic acid Traditional Name: 2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]terephthalic acid Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O7S2/c21-16(19-14-10-12(17(22)23)3-4-13(14)18(24)25)11-5-7-20(8-6-11)29(26,27)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H,19,21)(H,22,23)(H,24,25)