spiro[1,2-diazepane-5,2'-3H-1,3-benzothiazole]-6'-sulfonate

Systemtic Name: spiro[1,2-diazepane-5,2'-3H-1,3-benzothiazole]-6'-sulfonate Openeye Name: spiro[3H-1,3-benzothiazole-2,5'-diazepane]-6-sulfonate CAS Name: 6-spiro[3H-1,3-benzothiazole-2,5'-diazepane]sulfonate IUPAC Name: spiro[3H-1,3-benzothiazole-2,5'-diazepane]-6-sulfonate Traditional Name: spiro[3H-1,3-benzothiazole-2,5'-diazepane]-6-sulfonate Formula: C11H14N3O3S2- MolecularWeight: 300.37716

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Descriptors Computed from Structure

Canonical SMILES:

C1CNNCCC12NC3=C(S2)C=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1CNNCCC12NC3=C(S2)C=C(C=C3)S(=O)(=O)[O-]

InChI

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