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

Systemtic Name: ethyl 4-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C30H30N4O6S MolecularWeight: 574.6474

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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)N4CCC5=CC=CC=C54)OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C54)OC)C(=O)OCC

InChI

InChI=1S/C30H30N4O6S/c1-4-22-27(30(36)40-5-2)28(32-24-12-8-7-11-23(24)31-22)33-29(35)21-18-20(14-15-26(21)39-3)41(37,38)34-17-16-19-10-6-9-13-25(19)34/h6-15,18,31H,4-5,16-17H2,1-3H3,(H,32,33,35)