1-hexanoyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-hexanoyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-hexanoyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(1-oxohexyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-hexanoyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-caproyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCCCCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-3-4-5-10-22(26)24-16-21(23(27)28)25(15-17-8-6-7-9-20(17)24)32(29,30)19-13-11-18(31-2)12-14-19/h6-9,11-14,21H,3-5,10,15-16H2,1-2H3,(H,27,28)