[1-ethanoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [1-ethanoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [1-acetyl-3-(carbomethoxyamino)-2,1,4-benzothiadiazin-7-yl] ester Formula: C18H14F3N3O6S2 MolecularWeight: 489.44547

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N=C(S1)NC(=O)OC

Isomeric SMILES

CC(=O)N1C2=C(C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N=C(S1)NC(=O)OC

InChI

InChI=1S/C18H14F3N3O6S2/c1-10(25)24-15-9-12(6-7-14(15)22-16(31-24)23-17(26)29-2)30-32(27,28)13-5-3-4-11(8-13)18(19,20)21/h3-9H,1-2H3,(H,22,23,26)