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

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Openeye Name: [3-(tert-butoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-2,1,4-benzothiadiazin-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(tert-butoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-18(2,3)25-17(22)20-16-19-14-10-9-12(11-15(14)21-27-16)26-28(23,24)13-7-5-4-6-8-13/h4-11,21H,1-3H3,(H,19,20,22)