disodium 2-[[3,6-bis(dimethylamino)-5-(2-sulfonatoethylcarbamoyl)pyrazin-2-yl]carbonylamino]ethanesulfonate

Systemtic Name: disodium 2-[[3,6-bis(dimethylamino)-5-(2-sulfonatoethylcarbamoyl)pyrazin-2-yl]carbonylamino]ethanesulfonate Openeye Name: disodium 2-[[3,6-bis(dimethylamino)-5-(2-sulfonatoethylcarbamoyl)pyrazine-2-carbonyl]amino]ethanesulfonate CAS Name: disodium 2-[[[3,6-bis(dimethylamino)-5-[oxo-(2-sulfonatoethylamino)methyl]-2-pyrazinyl]-oxomethyl]amino]ethanesulfonate IUPAC Name: disodium 2-[[3,6-bis(dimethylamino)-5-(2-sulfonatoethylcarbamoyl)pyrazine-2-carbonyl]amino]ethanesulfonate Traditional Name: disodium 2-[[3,6-bis(dimethylamino)-5-(2-sulfonatoethylcarbamoyl)pyrazinoyl]amino]ethanesulfonate Formula: C14H22N6Na2O8S2 MolecularWeight: 512.46942

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C14H24N6O8S2.2Na/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);;/q;2*+1/p-2