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

Systemtic Name: 2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-besylisonipecotoyl)amino]terephthalic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S/c23-18(21-17-12-14(19(24)25)6-7-16(17)20(26)27)13-8-10-22(11-9-13)30(28,29)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,23)(H,24,25)(H,26,27)