spiro[1,2-diazepane-5,2'-1,3-benzothiazole]-3'-sulfonic acid

Systemtic Name: spiro[1,2-diazepane-5,2'-1,3-benzothiazole]-3'-sulfonic acid Openeye Name: spiro[1,3-benzothiazole-2,5'-diazepane]-3-sulfonic acid CAS Name: 3-spiro[1,3-benzothiazole-2,5'-diazepane]sulfonic acid IUPAC Name: spiro[1,3-benzothiazole-2,5'-diazepane]-3-sulfonic acid Traditional Name: spiro[1,3-benzothiazole-2,5'-diazepane]-3-sulfonic acid Formula: C11H15N3O3S2 MolecularWeight: 301.3851

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Descriptors Computed from Structure

Canonical SMILES:

C1CNNCCC12N(C3=CC=CC=C3S2)S(=O)(=O)O

Isomeric SMILES

C1CNNCCC12N(C3=CC=CC=C3S2)S(=O)(=O)O

InChI

InChI=1S/C11H15N3O3S2/c15-19(16,17)14-9-3-1-2-4-10(9)18-11(14)5-7-12-13-8-6-11/h1-4,12-13H,5-8H2,(H,15,16,17)