2-[[3,6-bis(dimethylamino)-5-(2-sulfoethylcarbamoyl)pyrazin-2-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[3,6-bis(dimethylamino)-5-(2-sulfoethylcarbamoyl)pyrazin-2-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[3,6-bis(dimethylamino)-5-(2-sulfoethylcarbamoyl)pyrazine-2-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[3,6-bis(dimethylamino)-5-[oxo-(2-sulfoethylamino)methyl]-2-pyrazinyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[3,6-bis(dimethylamino)-5-(2-sulfoethylcarbamoyl)pyrazine-2-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[3,6-bis(dimethylamino)-5-(2-sulfoethylcarbamoyl)pyrazinoyl]amino]ethanesulfonic acid Formula: C14H24N6O8S2 MolecularWeight: 468.50576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(N=C(C(=N1)C(=O)NCCS(=O)(=O)O)N(C)C)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CN(C)C1=C(N=C(C(=N1)C(=O)NCCS(=O)(=O)O)N(C)C)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C14H24N6O8S2/c1-19(2)11-9(13(21)15-5-7-29(23,24)25)18-12(20(3)4)10(17-11)14(22)16-6-8-30(26,27)28/h5-8H2,1-4H3,(H,15,21)(H,16,22)(H,23,24,25)(H,26,27,28)