potassium 4-[6-imidazol-1-yl-4-(2-oxidanylidenepyrrolidin-1-yl)octan-2-yl]benzenesulfonate

Systemtic Name: potassium 4-[6-imidazol-1-yl-4-(2-oxidanylidenepyrrolidin-1-yl)octan-2-yl]benzenesulfonate Openeye Name: potassium 4-[5-imidazol-1-yl-1-methyl-3-(2-oxopyrrolidin-1-yl)heptyl]benzenesulfonate CAS Name: potassium 4-[6-(1-imidazolyl)-4-(2-oxo-1-pyrrolidinyl)octan-2-yl]benzenesulfonate IUPAC Name: potassium 4-[6-imidazol-1-yl-4-(2-oxopyrrolidin-1-yl)octan-2-yl]benzenesulfonate Traditional Name: potassium 4-[5-imidazol-1-yl-3-(2-ketopyrrolidino)-1-methyl-heptyl]besylate Formula: C21H28KN3O4S MolecularWeight: 457.62802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])N2CCCC2=O)N3C=CN=C3.[K+]

Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])N2CCCC2=O)N3C=CN=C3.[K+]

InChI

InChI=1S/C21H29N3O4S.K/c1-3-18(23-12-10-22-15-23)14-19(24-11-4-5-21(24)25)13-16(2)17-6-8-20(9-7-17)29(26,27)28;/h6-10,12,15-16,18-19H,3-5,11,13-14H2,1-2H3,(H,26,27,28);/q;+1/p-1