ethyl 2-ethyl-4-(naphthalen-2-ylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(naphthalen-2-ylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-(2-naphthylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-(2-naphthalenylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(naphthalen-2-ylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(2-naphthylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC

InChI

InChI=1S/C24H23N3O4S/c1-3-19-22(24(28)31-4-2)23(26-21-12-8-7-11-20(21)25-19)27-32(29,30)18-14-13-16-9-5-6-10-17(16)15-18/h5-15,25H,3-4H2,1-2H3,(H,26,27)