N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl]-2-oxidanyl-phenyl]methanesulfonamide

Systemtic Name: N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl]-2-oxidanyl-phenyl]methanesulfonamide Openeye Name: N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl]-2-hydroxy-phenyl]methanesulfonamide CAS Name: N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide IUPAC Name: N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide Traditional Name: N-[5-[3-(homoveratrylamino)-2-hydroxy-propyl]-2-hydroxy-phenyl]methanesulfonamide Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(CC2=CC(=C(C=C2)O)NS(=O)(=O)C)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(CC2=CC(=C(C=C2)O)NS(=O)(=O)C)O)OC

InChI

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