ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(diisobutylsulfamoyl)benzoyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[4-(diisobutylsulfamoyl)benzoyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O7S2 MolecularWeight: 511.61156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C22H29N3O7S2/c1-6-32-22(27)18-11-19(25(28)29)33-21(18)23-20(26)16-7-9-17(10-8-16)34(30,31)24(12-14(2)3)13-15(4)5/h7-11,14-15H,6,12-13H2,1-5H3,(H,23,26)