N-[[2-methyl-4-[3-[3-methyl-4-(2,3,3-trimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]phenyl]methyl]ethanesulfinamide

Systemtic Name: N-[[2-methyl-4-[3-[3-methyl-4-(2,3,3-trimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]phenyl]methyl]ethanesulfinamide Openeye Name: N-[[4-[1-ethyl-1-[4-(2-hydroxy-2,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl]methyl]ethanesulfinamide CAS Name: N-[[4-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]ethanesulfinamide IUPAC Name: N-[[4-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]ethanesulfinamide Traditional Name: N-[4-[1-ethyl-1-[4-(2-hydroxy-2,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-benzyl]ethanesulfinamide Formula: C29H45NO3S MolecularWeight: 487.7375

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)CNS(=O)CC)C)C2=CC(=C(C=C2)OCC(C)(C(C)(C)C)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)CNS(=O)CC)C)C2=CC(=C(C=C2)OCC(C)(C(C)(C)C)O)C

InChI

InChI=1S/C29H45NO3S/c1-10-29(11-2,24-14-13-23(21(4)17-24)19-30-34(32)12-3)25-15-16-26(22(5)18-25)33-20-28(9,31)27(6,7)8/h13-18,30-31H,10-12,19-20H2,1-9H3