ethyl 4-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2,5-dibromophenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(2,5-dibromophenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dibromophenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2,5-dibromophenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H19Br2N3O4S MolecularWeight: 557.25556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=C(C=CC(=C3)Br)Br)C(=O)OCC

InChI

InChI=1S/C20H19Br2N3O4S/c1-3-14-18(20(26)29-4-2)19(24-16-8-6-5-7-15(16)23-14)25-30(27,28)17-11-12(21)9-10-13(17)22/h5-11,23H,3-4H2,1-2H3,(H,24,25)