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

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C27H21ClN2O6S2 MolecularWeight: 569.04844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C2N1C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C2N1C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C27H21ClN2O6S2/c28-19-7-9-20(10-8-19)36-21-11-13-22(14-12-21)38(34,35)30-16-18-4-1-2-5-23(18)29(17-24(30)27(32)33)26(31)25-6-3-15-37-25/h1-15,24H,16-17H2,(H,32,33)