2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonic acid CAS Name: 2-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]besylic acid Formula: C14H9N3O6S2 MolecularWeight: 379.36776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H9N3O6S2/c18-13(9-3-1-2-4-12(9)25(21,22)23)16-14-15-10-6-5-8(17(19)20)7-11(10)24-14/h1-7H,(H,15,16,18)(H,21,22,23)