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

Systemtic Name: ethyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-[(4-morpholinosulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-[(4-morpholinosulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H24N4O6S MolecularWeight: 484.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H24N4O6S/c1-2-33-23(29)18-15-24-19-5-3-4-6-20(19)25-21(18)26-22(28)16-7-9-17(10-8-16)34(30,31)27-11-13-32-14-12-27/h3-10,15,25H,2,11-14H2,1H3,(H,26,28)