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

Systemtic Name: ethyl 2-ethyl-4-[(2-fluorophenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-fluorophenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[(2-fluorophenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-fluorophenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-fluorophenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C20H20FN3O4S/c1-3-14-18(20(25)28-4-2)19(23-16-11-7-6-10-15(16)22-14)24-29(26,27)17-12-8-5-9-13(17)21/h5-12,22H,3-4H2,1-2H3,(H,23,24)