[3-(propoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate

Systemtic Name: [3-(propoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Openeye Name: [3-(propoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[oxo(propoxy)methyl]amino]-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(propoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(propoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)NS1

Isomeric SMILES

CCCOC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)NS1

InChI

InChI=1S/C17H17N3O5S2/c1-2-10-24-17(21)19-16-18-14-9-8-12(11-15(14)20-26-16)25-27(22,23)13-6-4-3-5-7-13/h3-9,11,20H,2,10H2,1H3,(H,18,19,21)