(4-methylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: (4-methylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: p-tolyl 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid p-tolyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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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

Isomeric SMILES

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

InChI

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