ethyl 4-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[2-chloro-5-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-chloro-5-(dimethylsulfamoyl)benzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25ClN4O5S MolecularWeight: 504.9864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)C(=O)OCC

InChI

InChI=1S/C23H25ClN4O5S/c1-5-17-20(23(30)33-6-2)21(26-19-10-8-7-9-18(19)25-17)27-22(29)15-13-14(11-12-16(15)24)34(31,32)28(3)4/h7-13,25H,5-6H2,1-4H3,(H,26,27,29)