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

Systemtic Name: N-[4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]-2-propan-2-ylsulfanyl-ethanesulfonamide Openeye Name: N-[4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl]-2-isopropylsulfanyl-ethanesulfonamide CAS Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-(propan-2-ylthio)ethanesulfonamide IUPAC Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-propan-2-ylsulfanylethanesulfonamide Traditional Name: N-[4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl]-2-(isopropylthio)ethanesulfonamide Formula: C30H45NO4S2 MolecularWeight: 547.8126

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H45NO4S2/c1-10-30(11-2,25-13-15-27(23(6)19-25)35-20-28(32)29(7,8)9)24-12-14-26(22(5)18-24)31-37(33,34)17-16-36-21(3)4/h12-15,18-19,21,31H,10-11,16-17,20H2,1-9H3