methyl 1-(furan-2-ylcarbonyl)-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(furan-2-ylcarbonyl)-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(furan-2-carbonyl)-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(furan-2-carbonyl)-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-furoyl)-4-(4-hydroxyphenyl)sulfonyl-5H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O7S/c1-30-22(27)19-14-23(21(26)20-7-4-12-31-20)18-6-3-2-5-15(18)13-24(19)32(28,29)17-10-8-16(25)9-11-17/h2-12,14,25H,13H2,1H3