N-[4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]-2-ethylsulfanyl-ethanesulfonamide

Systemtic Name: N-[4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]-2-ethylsulfanyl-ethanesulfonamide Openeye Name: N-[4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl]-2-ethylsulfanyl-ethanesulfonamide CAS Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-(ethylthio)ethanesulfonamide IUPAC Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-ethylsulfanylethanesulfonamide Traditional Name: N-[4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl]-2-(ethylthio)ethanesulfonamide Formula: C29H43NO4S2 MolecularWeight: 533.78602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)NS(=O)(=O)CCSCC)C)C2=CC(=C(C=C2)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)NS(=O)(=O)CCSCC)C)C2=CC(=C(C=C2)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C29H43NO4S2/c1-9-29(10-2,24-13-15-26(22(5)19-24)34-20-27(31)28(6,7)8)23-12-14-25(21(4)18-23)30-36(32,33)17-16-35-11-3/h12-15,18-19,30H,9-11,16-17,20H2,1-8H3