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

Systemtic Name: 4-[7-imidazol-1-yl-4-(2-oxidanylidenepyrrolidin-1-yl)nonan-2-yl]benzenesulfinate Openeye Name: 4-[6-imidazol-1-yl-1-methyl-3-(2-oxopyrrolidin-1-yl)octyl]benzenesulfinate CAS Name: 4-[7-(1-imidazolyl)-4-(2-oxo-1-pyrrolidinyl)nonan-2-yl]benzenesulfinate IUPAC Name: 4-[7-imidazol-1-yl-4-(2-oxopyrrolidin-1-yl)nonan-2-yl]benzenesulfinate Traditional Name: 4-[6-imidazol-1-yl-3-(2-ketopyrrolidino)-1-methyl-octyl]benzenesulfinate Formula: C22H30N3O3S- MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-3-19(24-14-12-23-16-24)8-9-20(25-13-4-5-22(25)26)15-17(2)18-6-10-21(11-7-18)29(27)28/h6-7,10-12,14,16-17,19-20H,3-5,8-9,13,15H2,1-2H3,(H,27,28)/p-1