N-[(3S)-6,6-dimethyl-5-oxidanylidene-1-phenyl-heptan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S)-6,6-dimethyl-5-oxidanylidene-1-phenyl-heptan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-4,4-dimethyl-3-oxo-1-phenethyl-pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S)-6,6-dimethyl-5-oxo-1-phenylheptan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S)-6,6-dimethyl-5-oxo-1-phenylheptan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-3-keto-4,4-dimethyl-1-phenethyl-pentyl]-4-methyl-benzenesulfonamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC2=CC=CC=C2)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)C(C)(C)C

InChI

InChI=1S/C22H29NO3S/c1-17-10-14-20(15-11-17)27(25,26)23-19(16-21(24)22(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,23H,12-13,16H2,1-4H3/t19-/m0/s1