N-[3-cyano-4-[3-[2-(4-methoxyphenyl)ethylamino]-3-methyl-2-oxidanyl-butan-2-yl]oxy-phenyl]methanesulfonamide

Systemtic Name: N-[3-cyano-4-[3-[2-(4-methoxyphenyl)ethylamino]-3-methyl-2-oxidanyl-butan-2-yl]oxy-phenyl]methanesulfonamide Openeye Name: N-[3-cyano-4-[1-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-1,2-dimethyl-propoxy]phenyl]methanesulfonamide CAS Name: N-[3-cyano-4-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-2-yl]oxyphenyl]methanesulfonamide IUPAC Name: N-[3-cyano-4-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-2-yl]oxyphenyl]methanesulfonamide Traditional Name: N-[3-cyano-4-[1-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-1,2-dimethyl-propoxy]phenyl]methanesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(O)OC1=C(C=C(C=C1)NS(=O)(=O)C)C#N)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C(C)(O)OC1=C(C=C(C=C1)NS(=O)(=O)C)C#N)NCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29N3O5S/c1-21(2,24-13-12-16-6-9-19(29-4)10-7-16)22(3,26)30-20-11-8-18(14-17(20)15-23)25-31(5,27)28/h6-11,14,24-26H,12-13H2,1-5H3