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

Systemtic Name: methyl 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(1-oxohexyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-hexanoyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-caproyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C28H34N2O7S MolecularWeight: 542.64376

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O7S/c1-4-5-6-13-27(31)29-21-26(28(32)36-3)30(20-22-11-7-8-12-25(22)29)38(33,34)24-16-14-23(15-17-24)37-19-10-9-18-35-2/h7-8,11-12,14-17,26H,4-6,13,18-21H2,1-3H3