3-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[[3-(1-piperidylsulfonyl)benzoyl]amino]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hydrazo]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[(3-piperidin-1-ylsulfonylbenzoyl)amino]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[(3-piperidinosulfonylbenzoyl)amino]carbamoyl]pyrazinoic acid Formula: C18H19N5O6S MolecularWeight: 433.43836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C18H19N5O6S/c24-16(21-22-17(25)14-15(18(26)27)20-8-7-19-14)12-5-4-6-13(11-12)30(28,29)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10H2,(H,21,24)(H,22,25)(H,26,27)