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

Systemtic Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(carbethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S2/c1-2-23-16(20)18-15-17-13-9-8-11(10-14(13)19-25-15)24-26(21,22)12-6-4-3-5-7-12/h3-10,19H,2H2,1H3,(H,17,18,20)