N-[4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]-N-propylsulfonyl-propane-1-sulfonamide

Systemtic Name: N-[4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]-N-propylsulfonyl-propane-1-sulfonamide Openeye Name: N-[4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl]-N-propylsulfonyl-propane-1-sulfonamide CAS Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-N-propylsulfonyl-1-propanesulfonamide IUPAC Name: N-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-N-propylsulfonylpropane-1-sulfonamide Traditional Name: N-[4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl]-N-propylsulfonyl-propane-1-sulfonamide Formula: C31H47NO6S2 MolecularWeight: 593.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OCC(=O)C(C)(C)C)C)C)S(=O)(=O)CCC

Isomeric SMILES

CCCS(=O)(=O)N(C1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OCC(=O)C(C)(C)C)C)C)S(=O)(=O)CCC

InChI

InChI=1S/C31H47NO6S2/c1-10-18-39(34,35)32(40(36,37)19-11-2)27-16-14-25(20-23(27)5)31(12-3,13-4)26-15-17-28(24(6)21-26)38-22-29(33)30(7,8)9/h14-17,20-21H,10-13,18-19,22H2,1-9H3