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

Systemtic Name: 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(1-oxohexyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-caproyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C27H32N2O7S MolecularWeight: 528.61718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O

Isomeric SMILES

CCCCCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O

InChI

InChI=1S/C27H32N2O7S/c1-3-4-5-12-26(30)28-20-25(27(31)32)29(19-21-10-6-7-11-24(21)28)37(33,34)23-15-13-22(14-16-23)36-18-9-8-17-35-2/h6-7,10-11,13-16,25H,3-5,12,17-20H2,1-2H3,(H,31,32)