[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C18H15N3O7S2 MolecularWeight: 449.4576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S2/c1-10(17(22)20-12-2-5-14(6-3-12)30(19,26)27)28-18(23)16-9-11-8-13(21(24)25)4-7-15(11)29-16/h2-10H,1H3,(H,20,22)(H2,19,26,27)