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

Systemtic Name: ethyl 2-ethyl-4-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[4-(mesylmethyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C23H25N3O5S/c1-4-17-20(23(28)31-5-2)21(25-19-9-7-6-8-18(19)24-17)26-22(27)16-12-10-15(11-13-16)14-32(3,29)30/h6-13,24H,4-5,14H2,1-3H3,(H,25,26,27)