potassium 4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxidanylidenepyrrolidin-1-yl)pentan-2-yl]benzenesulfonate

Systemtic Name: potassium 4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxidanylidenepyrrolidin-1-yl)pentan-2-yl]benzenesulfonate Openeye Name: potassium 4-[4-(1-imidazol-1-ylcyclopropyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)butyl]benzenesulfonate CAS Name: potassium 4-[5-[1-(1-imidazolyl)cyclopropyl]-4-(2-oxo-1-pyrrolidinyl)pentan-2-yl]benzenesulfonate IUPAC Name: potassium 4-[5-(1-imidazol-1-ylcyclopropyl)-4-(2-oxopyrrolidin-1-yl)pentan-2-yl]benzenesulfonate Traditional Name: potassium 4-[4-(1-imidazol-1-ylcyclopropyl)-3-(2-ketopyrrolidino)-1-methyl-butyl]besylate Formula: C21H26KN3O4S MolecularWeight: 455.61214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1(CC1)N2C=CN=C2)N3CCCC3=O)C4=CC=C(C=C4)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC(CC(CC1(CC1)N2C=CN=C2)N3CCCC3=O)C4=CC=C(C=C4)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C21H27N3O4S.K/c1-16(17-4-6-19(7-5-17)29(26,27)28)13-18(24-11-2-3-20(24)25)14-21(8-9-21)23-12-10-22-15-23;/h4-7,10,12,15-16,18H,2-3,8-9,11,13-14H2,1H3,(H,26,27,28);/q;+1/p-1