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

Systemtic Name: ethyl 2-ethyl-4-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O7S/c1-4-18-23(26(32)37-5-2)24(28-20-9-7-6-8-19(20)27-18)29-25(31)17-10-11-21(35-3)22(16-17)38(33,34)30-12-14-36-15-13-30/h6-11,16,27H,4-5,12-15H2,1-3H3,(H,28,29,31)