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

Systemtic Name: ethyl 4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H25ClN4O5S MolecularWeight: 516.9971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C24H25ClN4O5S/c1-3-34-24(31)21-15(2)26-18-8-4-5-9-19(18)27-22(21)28-23(30)16-10-11-17(25)20(14-16)35(32,33)29-12-6-7-13-29/h4-5,8-11,14,26H,3,6-7,12-13H2,1-2H3,(H,27,28,30)