phenyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-2,1,4-benzothiadiazine-7-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)NS1

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)NS1

InChI

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