sodium 2-[(5E)-5-[(2Z)-2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[(5E)-5-[(2Z)-2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]ethanesulfonate Openeye Name: sodium 2-[(5E)-5-[(2Z)-2-[1-(2-amino-2-oxo-ethyl)pyrrolidin-2-ylidene]ethylidene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]ethanesulfonate CAS Name: sodium 2-[(5E)-5-[(2Z)-2-[1-(2-amino-2-oxoethyl)-2-pyrrolidinylidene]ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]ethanesulfonate IUPAC Name: sodium 2-[(5E)-5-[(2Z)-2-[1-(2-amino-2-oxoethyl)pyrrolidin-2-ylidene]ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]ethanesulfonate Traditional Name: sodium 2-[(5E)-5-[(2Z)-2-[1-(2-amino-2-keto-ethyl)pyrrolidin-2-ylidene]ethylidene]-2,4,6-triketo-hexahydropyrimidin-1-yl]ethanesulfonate Formula: C14H17N4NaO7S MolecularWeight: 408.36215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C2C(=O)NC(=O)N(C2=O)CCS(=O)(=O)[O-])N(C1)CC(=O)N.[Na+]

Isomeric SMILES

C1C/C(=C/C=C/2\C(=O)NC(=O)N(C2=O)CCS(=O)(=O)[O-])/N(C1)CC(=O)N.[Na+]

InChI

InChI=1S/C14H18N4O7S.Na/c15-11(19)8-17-5-1-2-9(17)3-4-10-12(20)16-14(22)18(13(10)21)6-7-26(23,24)25;/h3-4H,1-2,5-8H2,(H2,15,19)(H,16,20,22)(H,23,24,25);/q;+1/p-1/b9-3-,10-4+;