N-[(2S,3R,4R)-3-ethynyl-5-methyl-4-oxidanyl-1-phenyl-hexan-2-yl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(2S,3R,4R)-3-ethynyl-5-methyl-4-oxidanyl-1-phenyl-hexan-2-yl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(1S,2R,3R)-1-benzyl-2-ethynyl-3-hydroxy-4-methyl-pentyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(2S,3R,4R)-3-ethynyl-4-hydroxy-5-methyl-1-phenylhexan-2-yl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2S,3R,4R)-3-ethynyl-4-hydroxy-5-methyl-1-phenylhexan-2-yl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-2-[(1R)-1-hydroxy-2-methyl-propyl]but-3-ynyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(C#C)C(C(C)C)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C#C)[C@@H](C(C)C)O)C

InChI

InChI=1S/C24H31NO3S/c1-7-21(23(26)16(2)3)22(15-20-11-9-8-10-12-20)25-29(27,28)24-18(5)13-17(4)14-19(24)6/h1,8-14,16,21-23,25-26H,15H2,2-6H3/t21-,22+,23-/m1/s1