N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1,3-benzothiazole-7-sulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1,3-benzothiazole-7-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1,3-benzothiazole-7-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1,3-benzothiazole-7-sulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1,3-benzothiazole-7-sulfonamide Traditional Name: N-[2-(piperonylamino)ethyl]-1,3-benzothiazole-7-sulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCNS(=O)(=O)C3=CC=CC4=C3SC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCNS(=O)(=O)C3=CC=CC4=C3SC=N4

InChI

InChI=1S/C17H17N3O4S2/c21-26(22,16-3-1-2-13-17(16)25-10-19-13)20-7-6-18-9-12-4-5-14-15(8-12)24-11-23-14/h1-5,8,10,18,20H,6-7,9,11H2