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

Systemtic Name: 4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-isonicotinoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H23N3O7S MolecularWeight: 521.54172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C2N1C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C2N1C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)O

InChI

InChI=1S/C26H23N3O7S/c30-15-3-4-16-36-21-7-9-22(10-8-21)37(34,35)29-17-20-5-1-2-6-23(20)28(18-24(29)26(32)33)25(31)19-11-13-27-14-12-19/h1-2,5-14,24,30H,15-18H2,(H,32,33)