2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[4-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-piperidinosulfonylbenzoyl)amino]terephthalic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O7S/c23-18(21-17-12-14(19(24)25)6-9-16(17)20(26)27)13-4-7-15(8-5-13)30(28,29)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)(H,24,25)(H,26,27)