[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-chloranylbenzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-chloranylbenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C15H12ClN3O5S2 MolecularWeight: 413.85588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O5S2/c1-23-15(20)18-14-17-12-6-5-10(8-13(12)19-25-14)24-26(21,22)11-4-2-3-9(16)7-11/h2-8,19H,1H3,(H,17,18,20)