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

Systemtic Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(1-oxopropyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-propanoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-propionyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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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#CCOC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7S/c1-3-23(27)25-17-22(24(28)29)26(16-18-8-4-5-9-21(18)25)34(30,31)20-12-10-19(11-13-20)33-15-7-6-14-32-2/h4-5,8-13,22H,3,14-17H2,1-2H3,(H,28,29)