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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

InChI=1S/C18H19N3O6S2/c1-3-10-26-12-4-6-13(7-5-12)27-29(23,24)14-8-9-15-16(11-14)21-28-17(19-15)20-18(22)25-2/h4-9,11,21H,3,10H2,1-2H3,(H,19,20,22)