2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]terephthalic acid Traditional Name: 2-[[1-(2-thienylsulfonyl)nipecotoyl]amino]terephthalic acid Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18N2O7S2/c21-16(19-14-9-11(17(22)23)5-6-13(14)18(24)25)12-3-1-7-20(10-12)29(26,27)15-4-2-8-28-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,19,21)(H,22,23)(H,24,25)