N-[(2S,3S)-4-cyano-3-oxidanyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S,3S)-4-cyano-3-oxidanyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-1-benzyl-3-cyano-2-hydroxy-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3S)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3S)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-1-benzyl-3-cyano-2-hydroxy-propyl]-4-methyl-benzenesulfonamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-14-7-9-16(10-8-14)24(22,23)20-17(18(21)11-12-19)13-15-5-3-2-4-6-15/h2-10,17-18,20-21H,11,13H2,1H3/t17-,18-/m0/s1