phenyl 1-ethanoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: phenyl 1-ethanoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: phenyl 1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester IUPAC Name: phenyl 1-acetyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 1-acetyl-3-(carbomethoxyamino)-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)N=C(S1)NC(=O)OC

Isomeric SMILES

CC(=O)N1C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)N=C(S1)NC(=O)OC

InChI

InChI=1S/C17H15N3O6S2/c1-11(21)20-15-10-13(28(23,24)26-12-6-4-3-5-7-12)8-9-14(15)18-16(27-20)19-17(22)25-2/h3-10H,1-2H3,(H,18,19,22)