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

Systemtic Name: ethyl 2-ethyl-4-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O6S/c1-4-20-23(26(32)36-5-2)24(28-22-9-7-6-8-21(22)27-20)29-25(31)19-16-18(11-10-17(19)3)37(33,34)30-12-14-35-15-13-30/h6-11,16,27H,4-5,12-15H2,1-3H3,(H,28,29,31)