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

Systemtic Name: phenyl 3-(methoxycarbonylamino)-1-propanoyl-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: phenyl 3-(methoxycarbonylamino)-1-propanoyl-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1-(1-oxopropyl)-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(methoxycarbonylamino)-1-propanoyl-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1-propionyl-2,1,4-benzothiadiazine-7-sulfonic acid phenyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S2/c1-3-16(22)21-15-11-13(29(24,25)27-12-7-5-4-6-8-12)9-10-14(15)19-17(28-21)20-18(23)26-2/h4-11H,3H2,1-2H3,(H,19,20,23)