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

Systemtic Name: (4-propan-2-yloxyphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: (4-isopropoxyphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (4-propan-2-yloxyphenyl) ester IUPAC Name: (4-propan-2-yloxyphenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (4-isopropoxyphenyl) ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

InChI=1S/C18H19N3O6S2/c1-11(2)26-12-4-6-13(7-5-12)27-29(23,24)14-8-9-15-16(10-14)21-28-17(19-15)20-18(22)25-3/h4-11,21H,1-3H3,(H,19,20,22)