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

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-propoxybenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-propoxybenzenesulfonate CAS Name: 4-propoxybenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-propoxybenzenesulfonate Traditional Name: 4-propoxybenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

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