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

Systemtic Name: N-[(2S,3R,4R)-3-ethynyl-5-methyl-4-oxidanyl-hexan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R,3R)-2-ethynyl-3-hydroxy-1,4-dimethyl-pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R,4R)-3-ethynyl-4-hydroxy-5-methylhexan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3R,4R)-3-ethynyl-4-hydroxy-5-methylhexan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-2-[(1R)-1-hydroxy-2-methyl-propyl]-1-methyl-but-3-ynyl]-4-methyl-benzenesulfonamide Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-6-15(16(18)11(2)3)13(5)17-21(19,20)14-9-7-12(4)8-10-14/h1,7-11,13,15-18H,2-5H3/t13-,15+,16+/m0/s1