methyl 4-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]sulfamoyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]sulfamoyl]-3-nitro-benzoate Openeye Name: methyl 4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]sulfamoyl]-3-nitro-benzoate CAS Name: 4-[[[2-(1,1-dioxo-3-thiolanyl)-1-oxoethyl]amino]sulfamoyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]sulfamoyl]-3-nitrobenzoate Traditional Name: 4-[[[2-(1,1-diketothiolan-3-yl)acetyl]amino]sulfamoyl]-3-nitro-benzoic acid methyl ester Formula: C14H17N3O9S2 MolecularWeight: 435.42948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NNC(=O)CC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NNC(=O)CC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O9S2/c1-26-14(19)10-2-3-12(11(7-10)17(20)21)28(24,25)16-15-13(18)6-9-4-5-27(22,23)8-9/h2-3,7,9,16H,4-6,8H2,1H3,(H,15,18)