2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]heptanedioic acid

Systemtic Name: 2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]heptanedioic acid Openeye Name: 2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]heptanedioic acid CAS Name: 2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]heptanedioic acid IUPAC Name: 2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]heptanedioic acid Traditional Name: 2,6-dimethyl-3-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]pimelic acid Formula: C16H20N4O8S MolecularWeight: 428.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)C(=O)O)NS(=O)(=O)C1=NC2=C(N1)C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CCC(C(C)C(=O)O)NS(=O)(=O)C1=NC2=C(N1)C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H20N4O8S/c1-8(14(21)22)6-7-10(9(2)15(23)24)19-29(27,28)16-17-11-4-3-5-12(20(25)26)13(11)18-16/h3-5,8-10,19H,6-7H2,1-2H3,(H,17,18)(H,21,22)(H,23,24)