phenyl 3-(propan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: phenyl 3-(propan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: phenyl 3-(isopropoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-[[oxo(propan-2-yloxy)methyl]amino]-1H-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(propan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(isopropoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S2/c1-11(2)24-17(21)19-16-18-14-9-8-13(10-15(14)20-26-16)27(22,23)25-12-6-4-3-5-7-12/h3-11,20H,1-2H3,(H,18,19,21)