3-methylbutyl N-[2-[4-[[5-[3-[butanoyl(pyridin-3-yl)amino]propanoyl]-4-ethyl-2-propyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate

Systemtic Name: 3-methylbutyl N-[2-[4-[[5-[3-[butanoyl(pyridin-3-yl)amino]propanoyl]-4-ethyl-2-propyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate Openeye Name: isopentyl N-[2-[4-[[5-[3-[butanoyl(3-pyridyl)amino]propanoyl]-4-ethyl-2-propyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[4-ethyl-5-[1-oxo-3-[1-oxobutyl(3-pyridinyl)amino]propyl]-2-propyl-1-imidazolyl]methyl]phenyl]phenyl]sulfonylcarbamic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl N-[2-[4-[[5-[3-[butanoyl(pyridin-3-yl)amino]propanoyl]-4-ethyl-2-propylimidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[5-[3-[butyryl(3-pyridyl)amino]propanoyl]-4-ethyl-2-propyl-imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid isoamyl ester Formula: C39H49N5O6S MolecularWeight: 715.90126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)C(=O)CCN(C4=CN=CC=C4)C(=O)CCC)CC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)C(=O)CCN(C4=CN=CC=C4)C(=O)CCC)CC

InChI

InChI=1S/C39H49N5O6S/c1-6-12-36-41-33(8-3)38(34(45)21-24-43(37(46)13-7-2)31-14-11-23-40-26-31)44(36)27-29-17-19-30(20-18-29)32-15-9-10-16-35(32)51(48,49)42-39(47)50-25-22-28(4)5/h9-11,14-20,23,26,28H,6-8,12-13,21-22,24-25,27H2,1-5H3,(H,42,47)