2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-pyrrol-1-yl-phenyl)methanesulfonamide; hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-pyrrol-1-yl-phenyl)methanesulfonamide; hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; N-(4-ethoxy-3-pyrrol-1-yl-phenyl)methanesulfonamide; hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; N-[4-ethoxy-3-(1-pyrrolyl)phenyl]methanesulfonamide; hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; N-(4-ethoxy-3-pyrrol-1-ylphenyl)methanesulfonamide; hydrochloride Traditional Name: N-(4-ethoxy-3-pyrrol-1-yl-phenyl)methanesulfonamide; homoveratryl(methyl)amine; hydrochloride Formula: C24H34ClN3O5S MolecularWeight: 512.06186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C)N2C=CC=C2.CNCCC1=CC(=C(C=C1)OC)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C)N2C=CC=C2.CNCCC1=CC(=C(C=C1)OC)OC.Cl

InChI

InChI=1S/C13H16N2O3S.C11H17NO2.ClH/c1-3-18-13-7-6-11(14-19(2,16)17)10-12(13)15-8-4-5-9-15;1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-10,14H,3H2,1-2H3;4-5,8,12H,6-7H2,1-3H3;1H