ethyl 2-ethyl-4-[2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-oxoethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)C(=O)OCC

InChI

InChI=1S/C27H32N4O7S/c1-4-19-25(27(33)38-5-2)26(29-21-9-7-6-8-20(21)28-19)30-24(32)17-18-10-11-22(36-3)23(16-18)39(34,35)31-12-14-37-15-13-31/h6-11,16,28H,4-5,12-15,17H2,1-3H3,(H,29,30,32)