[3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate

Systemtic Name: [3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Openeye Name: [3-(isobutoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[2-methylpropoxy(oxo)methyl]amino]-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(isobutoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)NS1

Isomeric SMILES

CC(C)COC(=O)NC1=NC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)NS1

InChI

InChI=1S/C18H19N3O5S2/c1-12(2)11-25-18(22)20-17-19-15-9-8-13(10-16(15)21-27-17)26-28(23,24)14-6-4-3-5-7-14/h3-10,12,21H,11H2,1-2H3,(H,19,20,22)