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

Systemtic Name: phenyl 3-(butan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: phenyl 3-(sec-butoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-[[butan-2-yloxy(oxo)methyl]amino]-1H-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(butan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(sec-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-3-12(2)25-18(22)20-17-19-15-10-9-14(11-16(15)21-27-17)28(23,24)26-13-7-5-4-6-8-13/h4-12,21H,3H2,1-2H3,(H,19,20,22)