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

Systemtic Name: (4-tert-butylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: (4-tert-butylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (4-tert-butylphenyl) ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-19(2,3)12-5-7-13(8-6-12)27-29(24,25)14-9-10-15-16(11-14)22-28-17(20-15)21-18(23)26-4/h5-11,22H,1-4H3,(H,20,21,23)