4-[8-imidazol-1-yl-6-(2-oxidanylidenepyrrolidin-1-yl)-2-[4-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-octoxy-piperidin-4-yl)amino]ethyl]sulfonylphenyl]decan-4-yl]benzenesulfinate

Systemtic Name: 4-[8-imidazol-1-yl-6-(2-oxidanylidenepyrrolidin-1-yl)-2-[4-[2-oxidanylidene-2-[(2,2,6,6-tetramethyl-1-octoxy-piperidin-4-yl)amino]ethyl]sulfonylphenyl]decan-4-yl]benzenesulfinate Openeye Name: 4-[5-imidazol-1-yl-3-(2-oxopyrrolidin-1-yl)-1-[2-[4-[2-oxo-2-[(2,2,6,6-tetramethyl-1-octoxy-4-piperidyl)amino]ethyl]sulfonylphenyl]propyl]heptyl]benzenesulfinate CAS Name: 4-[8-(1-imidazolyl)-6-(2-oxo-1-pyrrolidinyl)-2-[4-[2-oxo-2-[(2,2,6,6-tetramethyl-1-octoxy-4-piperidinyl)amino]ethyl]sulfonylphenyl]decan-4-yl]benzenesulfinate IUPAC Name: 4-[8-imidazol-1-yl-6-(2-oxopyrrolidin-1-yl)-2-[4-[2-oxo-2-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]ethyl]sulfonylphenyl]decan-4-yl]benzenesulfinate Traditional Name: 4-[5-imidazol-1-yl-3-(2-ketopyrrolidino)-1-[2-[4-[2-keto-2-[(2,2,6,6-tetramethyl-1-octoxy-4-piperidyl)amino]ethyl]sulfonylphenyl]propyl]heptyl]benzenesulfinate Formula: C48H72N5O7S2- MolecularWeight: 895.24458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCON1C(CC(CC1(C)C)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)C(C)CC(CC(CC(CC)N3C=CN=C3)N4CCCC4=O)C5=CC=C(C=C5)S(=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCON1C(CC(CC1(C)C)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)C(C)CC(CC(CC(CC)N3C=CN=C3)N4CCCC4=O)C5=CC=C(C=C5)S(=O)[O-])(C)C

InChI

InChI=1S/C48H73N5O7S2/c1-8-10-11-12-13-14-28-60-53-47(4,5)32-40(33-48(53,6)7)50-45(54)34-62(58,59)44-23-19-37(20-24-44)36(3)29-39(38-17-21-43(22-18-38)61(56)57)30-42(52-26-15-16-46(52)55)31-41(9-2)51-27-25-49-35-51/h17-25,27,35-36,39-42H,8-16,26,28-34H2,1-7H3,(H,50,54)(H,56,57)/p-1