N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[5-[2-(homoveratrylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl]-4-methyl-benzenesulfonamide Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(CNCCC3=CC(=C(C=C3)OC)OC)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(CNCCC3=CC(=C(C=C3)OC)OC)O)O

InChI

InChI=1S/C25H30N2O6S/c1-17-4-8-20(9-5-17)34(30,31)27-21-15-19(7-10-22(21)28)23(29)16-26-13-12-18-6-11-24(32-2)25(14-18)33-3/h4-11,14-15,23,26-29H,12-13,16H2,1-3H3