N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]phenyl]methanesulfonamide

Systemtic Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]phenyl]methanesulfonamide Openeye Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenyl]methanesulfonamide CAS Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide IUPAC Name: N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide Traditional Name: N-[4-[3-(homoveratrylamino)-2-hydroxy-propoxy]phenyl]methanesulfonamide Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)NS(=O)(=O)C)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)NS(=O)(=O)C)O)OC

InChI

InChI=1S/C20H28N2O6S/c1-26-19-9-4-15(12-20(19)27-2)10-11-21-13-17(23)14-28-18-7-5-16(6-8-18)22-29(3,24)25/h4-9,12,17,21-23H,10-11,13-14H2,1-3H3