[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-butoxybenzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-butoxybenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

InChI=1S/C19H21N3O6S2/c1-3-4-11-27-13-5-8-15(9-6-13)30(24,25)28-14-7-10-16-17(12-14)22-29-18(20-16)21-19(23)26-2/h5-10,12,22H,3-4,11H2,1-2H3,(H,20,21,23)