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

Systemtic Name: N-(3-bromanyl-4-ethoxy-phenyl)methanesulfonamide; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; hydrochloride Openeye Name: N-(3-bromo-4-ethoxy-phenyl)methanesulfonamide; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; hydrochloride CAS Name: N-(3-bromo-4-ethoxyphenyl)methanesulfonamide; 2-(3,4-dimethoxyphenyl)-N-methylethanamine; hydrochloride IUPAC Name: N-(3-bromo-4-ethoxyphenyl)methanesulfonamide; 2-(3,4-dimethoxyphenyl)-N-methylethanamine; hydrochloride Traditional Name: N-(3-bromo-4-ethoxy-phenyl)methanesulfonamide; homoveratryl(methyl)amine; hydrochloride Formula: C20H30BrClN2O5S MolecularWeight: 525.8846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2.C9H12BrNO3S.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