4-[7-imidazol-1-yl-5-(2-oxidanylidenepyrrolidin-1-yl)nonan-3-yl]benzenesulfinate

Systemtic Name: 4-[7-imidazol-1-yl-5-(2-oxidanylidenepyrrolidin-1-yl)nonan-3-yl]benzenesulfinate Openeye Name: 4-[1-ethyl-5-imidazol-1-yl-3-(2-oxopyrrolidin-1-yl)heptyl]benzenesulfinate CAS Name: 4-[7-(1-imidazolyl)-5-(2-oxo-1-pyrrolidinyl)nonan-3-yl]benzenesulfinate IUPAC Name: 4-[7-imidazol-1-yl-5-(2-oxopyrrolidin-1-yl)nonan-3-yl]benzenesulfinate Traditional Name: 4-[1-ethyl-5-imidazol-1-yl-3-(2-ketopyrrolidino)heptyl]benzenesulfinate Formula: C22H30N3O3S- MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC)N1C=CN=C1)N2CCCC2=O)C3=CC=C(C=C3)S(=O)[O-]

Isomeric SMILES

CCC(CC(CC(CC)N1C=CN=C1)N2CCCC2=O)C3=CC=C(C=C3)S(=O)[O-]

InChI

InChI=1S/C22H31N3O3S/c1-3-17(18-7-9-21(10-8-18)29(27)28)14-20(25-12-5-6-22(25)26)15-19(4-2)24-13-11-23-16-24/h7-11,13,16-17,19-20H,3-6,12,14-15H2,1-2H3,(H,27,28)/p-1