methyl 6-methyl-6-[4-[3-(methylsulfonylamino)phenyl]-3-oxidanyl-phenyl]heptanoate

Systemtic Name: methyl 6-methyl-6-[4-[3-(methylsulfonylamino)phenyl]-3-oxidanyl-phenyl]heptanoate Openeye Name: methyl 6-[3-hydroxy-4-[3-(methanesulfonamido)phenyl]phenyl]-6-methyl-heptanoate CAS Name: 6-[3-hydroxy-4-[3-(methanesulfonamido)phenyl]phenyl]-6-methylheptanoic acid methyl ester IUPAC Name: methyl 6-[3-hydroxy-4-[3-(methanesulfonamido)phenyl]phenyl]-6-methylheptanoate Traditional Name: 6-[3-hydroxy-4-[3-(methanesulfonamido)phenyl]phenyl]-6-methyl-enanthic acid methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(=O)OC)C1=CC(=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C)O

Isomeric SMILES

CC(C)(CCCCC(=O)OC)C1=CC(=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C)O

InChI

InChI=1S/C22H29NO5S/c1-22(2,13-6-5-10-21(25)28-3)17-11-12-19(20(24)15-17)16-8-7-9-18(14-16)23-29(4,26)27/h7-9,11-12,14-15,23-24H,5-6,10,13H2,1-4H3