4-methoxy-2,3,6-trimethyl-N-[(2S,3R)-3-[(1R)-1-oxidanylethyl]-1-phenyl-pent-4-yn-2-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-2,3,6-trimethyl-N-[(2S,3R)-3-[(1R)-1-oxidanylethyl]-1-phenyl-pent-4-yn-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-1-benzyl-2-[(1R)-1-hydroxyethyl]but-3-ynyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide CAS Name: N-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-1-phenylpent-4-yn-2-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-1-phenylpent-4-yn-2-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzyl-2-[(1R)-1-hydroxyethyl]but-3-ynyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC=C2)C(C#C)C(C)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C#C)[C@@H](C)O)C)C)OC

InChI

InChI=1S/C23H29NO4S/c1-7-20(18(5)25)21(14-19-11-9-8-10-12-19)24-29(26,27)23-15(2)13-22(28-6)16(3)17(23)4/h1,8-13,18,20-21,24-25H,14H2,2-6H3/t18-,20+,21+/m1/s1