[1-(propan-2-yloxycarbonylamino)-2,1,4-benzothiadiazin-6-yl] benzenesulfonate

Systemtic Name: [1-(propan-2-yloxycarbonylamino)-2,1,4-benzothiadiazin-6-yl] benzenesulfonate Openeye Name: [1-(isopropoxycarbonylamino)-2,1,4-benzothiadiazin-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-[[oxo(propan-2-yloxy)methyl]amino]-2,1,4-benzothiadiazin-6-yl] ester IUPAC Name: [1-(propan-2-yloxycarbonylamino)-2,1,4-benzothiadiazin-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-(isopropoxycarbonylamino)-2,1,4-benzothiadiazin-6-yl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NN1C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)N=CS1

Isomeric SMILES

CC(C)OC(=O)NN1C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)N=CS1

InChI

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