N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-oxidanyl-propyl]-2-oxidanyl-phenyl]methanesulfonamide

Systemtic Name: N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-oxidanyl-propyl]-2-oxidanyl-phenyl]methanesulfonamide Openeye Name: N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-hydroxy-propyl]-2-hydroxy-phenyl]methanesulfonamide CAS Name: N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide IUPAC Name: N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide Traditional Name: N-[5-[3-[1-(3,4-dimethoxyphenyl)but-3-enylamino]-2-hydroxy-propyl]-2-hydroxy-phenyl]methanesulfonamide Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S/c1-5-6-18(16-8-10-21(29-2)22(13-16)30-3)23-14-17(25)11-15-7-9-20(26)19(12-15)24-31(4,27)28/h5,7-10,12-13,17-18,23-26H,1,6,11,14H2,2-4H3