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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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