2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[3-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(3-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=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=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)7-8-16(17)20(26)27)13-5-4-6-15(11-13)30(28,29)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,21,23)(H,24,25)(H,26,27)