[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-hydroxy-benzoate CAS Name: 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate Traditional Name: 5-(diethylsulfamoyl)-2-hydroxy-benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H20N4O8S2 MolecularWeight: 508.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O8S2/c1-3-23(4-2)34(30,31)13-6-8-16(25)14(10-13)19(27)32-11-18(26)22-20-21-15-7-5-12(24(28)29)9-17(15)33-20/h5-10,25H,3-4,11H2,1-2H3,(H,21,22,26)