N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]methanesulfonamide

Systemtic Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]methanesulfonamide Openeye Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]methanesulfonamide CAS Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide IUPAC Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide Traditional Name: N-[4-[3-[homoveratryl(methyl)amino]-2-hydroxy-propoxy]phenyl]methanesulfonamide Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O

InChI

InChI=1S/C21H30N2O6S/c1-23(12-11-16-5-10-20(27-2)21(13-16)28-3)14-18(24)15-29-19-8-6-17(7-9-19)22-30(4,25)26/h5-10,13,18,22,24H,11-12,14-15H2,1-4H3