4-[6-imidazol-1-yl-4-(2-methoxyethoxycarbonyl)-4-methyl-octan-2-yl]benzenesulfinate

Systemtic Name: 4-[6-imidazol-1-yl-4-(2-methoxyethoxycarbonyl)-4-methyl-octan-2-yl]benzenesulfinate Openeye Name: 4-[5-imidazol-1-yl-3-(2-methoxyethoxycarbonyl)-1,3-dimethyl-heptyl]benzenesulfinate CAS Name: 4-[6-(1-imidazolyl)-4-[2-methoxyethoxy(oxo)methyl]-4-methyloctan-2-yl]benzenesulfinate IUPAC Name: 4-[6-imidazol-1-yl-4-(2-methoxyethoxycarbonyl)-4-methyloctan-2-yl]benzenesulfinate Traditional Name: 4-[5-imidazol-1-yl-3-(2-methoxyethoxycarbonyl)-1,3-dimethyl-heptyl]benzenesulfinate Formula: C22H31N2O5S- MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(C)C1=CC=C(C=C1)S(=O)[O-])C(=O)OCCOC)N2C=CN=C2

Isomeric SMILES

CCC(CC(C)(CC(C)C1=CC=C(C=C1)S(=O)[O-])C(=O)OCCOC)N2C=CN=C2

InChI

InChI=1S/C22H32N2O5S/c1-5-19(24-11-10-23-16-24)15-22(3,21(25)29-13-12-28-4)14-17(2)18-6-8-20(9-7-18)30(26)27/h6-11,16-17,19H,5,12-15H2,1-4H3,(H,26,27)/p-1