1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-[(4-acetamidophenyl)sulfonylamino]-2-quinoxalinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]isonipecotic acid Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23N5O5S/c1-14(28)23-16-6-8-17(9-7-16)33(31,32)26-20-21(25-19-5-3-2-4-18(19)24-20)27-12-10-15(11-13-27)22(29)30/h2-9,15H,10-13H2,1H3,(H,23,28)(H,24,26)(H,29,30)