ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate CAS Name: 4-[[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate Traditional Name: 4-(3-benzofurazan-4-ylsulfonylpropanoylamino)benzoic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32

InChI

InChI=1S/C18H17N3O6S/c1-2-26-18(23)12-6-8-13(9-7-12)19-16(22)10-11-28(24,25)15-5-3-4-14-17(15)21-27-20-14/h3-9H,2,10-11H2,1H3,(H,19,22)