1,3-benzothiazol-5-yl 2-sulfamoylhexanoate

Systemtic Name: 1,3-benzothiazol-5-yl 2-sulfamoylhexanoate Openeye Name: 1,3-benzothiazol-5-yl 2-sulfamoylhexanoate CAS Name: 2-sulfamoylhexanoic acid 1,3-benzothiazol-5-yl ester IUPAC Name: 1,3-benzothiazol-5-yl 2-sulfamoylhexanoate Traditional Name: 2-sulfamoylhexanoic acid 1,3-benzothiazol-5-yl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=CC2=C(C=C1)SC=N2)S(=O)(=O)N

Isomeric SMILES

CCCCC(C(=O)OC1=CC2=C(C=C1)SC=N2)S(=O)(=O)N

InChI

InChI=1S/C13H16N2O4S2/c1-2-3-4-12(21(14,17)18)13(16)19-9-5-6-11-10(7-9)15-8-20-11/h5-8,12H,2-4H2,1H3,(H2,14,17,18)