methyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C28H23ClN2O6S2 MolecularWeight: 583.07502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H23ClN2O6S2/c1-36-28(33)25-18-30(27(32)26-7-4-16-38-26)24-6-3-2-5-19(24)17-31(25)39(34,35)23-14-12-22(13-15-23)37-21-10-8-20(29)9-11-21/h2-16,25H,17-18H2,1H3