4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(1-oxopropyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-propionyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCO)C(=O)O

Isomeric SMILES

CCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCO)C(=O)O

InChI

InChI=1S/C23H24N2O7S/c1-2-22(27)24-16-21(23(28)29)25(15-17-7-3-4-8-20(17)24)33(30,31)19-11-9-18(10-12-19)32-14-6-5-13-26/h3-4,7-12,21,26H,2,13-16H2,1H3,(H,28,29)