4-methyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-pent-4-yn-2-yl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-pent-4-yn-2-yl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[(1S,2R)-1-benzyl-2-hydroxy-but-3-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3R)-3-hydroxy-1-phenylpent-4-yn-2-yl]-4-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[(2S,3R)-3-hydroxy-1-phenylpent-4-yn-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-benzyl-N-[(1S,2R)-1-benzyl-2-hydroxy-but-3-ynyl]-4-methyl-benzenesulfonamide Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(C#C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)[C@@H](C#C)O

InChI

InChI=1S/C25H25NO3S/c1-3-25(27)24(18-21-10-6-4-7-11-21)26(19-22-12-8-5-9-13-22)30(28,29)23-16-14-20(2)15-17-23/h1,4-17,24-25,27H,18-19H2,2H3/t24-,25+/m0/s1