(2-chloranyl-6-methyl-phenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: (2-chloranyl-6-methyl-phenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: (2-chloro-6-methyl-phenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (2-chloro-6-methylphenyl) ester IUPAC Name: (2-chloro-6-methylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (2-chloro-6-methyl-phenyl) ester Formula: C16H14ClN3O5S2 MolecularWeight: 427.88246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

InChI=1S/C16H14ClN3O5S2/c1-9-4-3-5-11(17)14(9)25-27(22,23)10-6-7-12-13(8-10)20-26-15(18-12)19-16(21)24-2/h3-8,20H,1-2H3,(H,18,19,21)