potassium 4-[9-imidazol-1-yl-2-[3-[2-oxidanylidene-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]pyrrol-1-yl]-7-(2-oxidanylidenepyrrolidin-1-yl)undecan-5-yl]benzenesulfonate

Systemtic Name: potassium 4-[9-imidazol-1-yl-2-[3-[2-oxidanylidene-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]pyrrol-1-yl]-7-(2-oxidanylidenepyrrolidin-1-yl)undecan-5-yl]benzenesulfonate Openeye Name: potassium 4-[5-imidazol-1-yl-1-[3-[3-[2-oxo-2-[(1,2,2,6,6-pentamethyl-4-piperidyl)amino]ethyl]pyrrol-1-yl]butyl]-3-(2-oxopyrrolidin-1-yl)heptyl]benzenesulfonate CAS Name: potassium 4-[9-(1-imidazolyl)-2-[3-[2-oxo-2-[(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]ethyl]-1-pyrrolyl]-7-(2-oxo-1-pyrrolidinyl)undecan-5-yl]benzenesulfonate IUPAC Name: potassium 4-[9-imidazol-1-yl-2-[3-[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]pyrrol-1-yl]-7-(2-oxopyrrolidin-1-yl)undecan-5-yl]benzenesulfonate Traditional Name: potassium 4-[5-imidazol-1-yl-1-[3-[3-[2-keto-2-[(1,2,2,6,6-pentamethyl-4-piperidyl)amino]ethyl]pyrrol-1-yl]butyl]-3-(2-ketopyrrolidino)heptyl]besylate Formula: C40H59KN6O5S MolecularWeight: 775.09696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CCC(C)N1C=CC(=C1)CC(=O)NC2CC(N(C(C2)(C)C)C)(C)C)C3=CC=C(C=C3)S(=O)(=O)[O-])N4CCCC4=O)N5C=CN=C5.[K+]

Isomeric SMILES

CCC(CC(CC(CCC(C)N1C=CC(=C1)CC(=O)NC2CC(N(C(C2)(C)C)C)(C)C)C3=CC=C(C=C3)S(=O)(=O)[O-])N4CCCC4=O)N5C=CN=C5.[K+]

InChI

InChI=1S/C40H60N6O5S.K/c1-8-34(45-21-18-41-28-45)24-35(46-19-9-10-38(46)48)23-32(31-13-15-36(16-14-31)52(49,50)51)12-11-29(2)44-20-17-30(27-44)22-37(47)42-33-25-39(3,4)43(7)40(5,6)26-33;/h13-18,20-21,27-29,32-35H,8-12,19,22-26H2,1-7H3,(H,42,47)(H,49,50,51);/q;+1/p-1