1-[aminocarbonylcarbamoyl-[(6-chloranylpyridin-3-yl)methyl]amino]ethane-1,2-disulfonic acid

Systemtic Name: 1-[aminocarbonylcarbamoyl-[(6-chloranylpyridin-3-yl)methyl]amino]ethane-1,2-disulfonic acid Openeye Name: 1-[allophanoyl-[(6-chloro-3-pyridyl)methyl]amino]ethane-1,2-disulfonic acid CAS Name: 1-[[(carbamoylamino)-oxomethyl]-[(6-chloro-3-pyridinyl)methyl]amino]ethane-1,2-disulfonic acid IUPAC Name: 1-[carbamoylcarbamoyl-[(6-chloropyridin-3-yl)methyl]amino]ethane-1,2-disulfonic acid Traditional Name: 1-[allophanoyl-[(6-chloro-3-pyridyl)methyl]amino]ethane-1,2-disulfonic acid Formula: C10H13ClN4O8S2 MolecularWeight: 416.81522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CN(C(CS(=O)(=O)O)S(=O)(=O)O)C(=O)NC(=O)N)Cl

Isomeric SMILES

C1=CC(=NC=C1CN(C(CS(=O)(=O)O)S(=O)(=O)O)C(=O)NC(=O)N)Cl

InChI

InChI=1S/C10H13ClN4O8S2/c11-7-2-1-6(3-13-7)4-15(10(17)14-9(12)16)8(25(21,22)23)5-24(18,19)20/h1-3,8H,4-5H2,(H,18,19,20)(H,21,22,23)(H3,12,14,16,17)