methyl 1-(5-chloranylfuran-2-yl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(5-chloranylfuran-2-yl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(5-chlorofuran-2-carbonyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(5-chloro-2-furanyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(5-chlorofuran-2-carbonyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(5-chloro-2-furoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C22H19ClN2O7S MolecularWeight: 490.91346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=C(O4)Cl

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=C(O4)Cl

InChI

InChI=1S/C22H19ClN2O7S/c1-31-22(28)18-13-24(21(27)19-10-11-20(23)32-19)17-5-3-2-4-14(17)12-25(18)33(29,30)16-8-6-15(26)7-9-16/h2-11,18,26H,12-13H2,1H3