5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyloxyamino]isophthalic acid Formula: C16H12N2O7S2 MolecularWeight: 408.40568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)ONC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)ONC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O7S2/c1-8-17-13-3-2-12(7-14(13)26-8)27(23,24)25-18-11-5-9(15(19)20)4-10(6-11)16(21)22/h2-7,18H,1H3,(H,19,20)(H,21,22)