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

Systemtic Name: methyl 1-(3-chloranylthiophen-2-yl)carbonyl-4-(2-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(3-chlorothiophene-2-carbonyl)-4-(2-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(3-chloro-2-thiophenyl)-oxomethyl]-4-(2-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-chlorothiophene-2-carbonyl)-4-(2-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(3-chlorothiophene-2-carbonyl)-4-(2-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C22H19ClN2O6S2 MolecularWeight: 506.97906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3O)C(=O)C4=C(C=CS4)Cl

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3O)C(=O)C4=C(C=CS4)Cl

InChI

InChI=1S/C22H19ClN2O6S2/c1-31-22(28)17-13-24(21(27)20-15(23)10-11-32-20)16-7-3-2-6-14(16)12-25(17)33(29,30)19-9-5-4-8-18(19)26/h2-11,17,26H,12-13H2,1H3