2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-iodanyl-phenyl)methanesulfonamide; hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-iodanyl-phenyl)methanesulfonamide; hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-iodo-phenyl)methanesulfonamide; hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; N-(4-ethoxy-3-iodophenyl)methanesulfonamide; hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; N-(4-ethoxy-3-iodophenyl)methanesulfonamide; hydrochloride Traditional Name: N-(4-ethoxy-3-iodo-phenyl)methanesulfonamide; homoveratryl(methyl)amine; hydrochloride Formula: C20H30ClIN2O5S MolecularWeight: 572.88507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C)I.CNCCC1=CC(=C(C=C1)OC)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C)I.CNCCC1=CC(=C(C=C1)OC)OC.Cl

InChI

InChI=1S/C11H17NO2.C9H12INO3S.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;1-3-14-9-5-4-7(6-8(9)10)11-15(2,12)13;/h4-5,8,12H,6-7H2,1-3H3;4-6,11H,3H2,1-2H3;1H