2-acetamido-N-[(Z,2S)-4-cyano-3-oxidanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-acetamido-N-[(Z,2S)-4-cyano-3-oxidanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]-4-methyl-pentanamide Openeye Name: 2-acetamido-N-[(Z,1S)-3-(benzenesulfonyl)-1-benzyl-3-cyano-2-hydroxy-allyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[(Z,2S)-4-(benzenesulfonyl)-4-cyano-3-hydroxy-1-phenylbut-3-en-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[(Z,2S)-4-(benzenesulfonyl)-4-cyano-3-hydroxy-1-phenylbut-3-en-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[(Z,1S)-1-benzyl-3-besyl-3-cyano-2-hydroxy-allyl]-4-methyl-valeramide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-17(2)14-22(27-18(3)29)25(31)28-21(15-19-10-6-4-7-11-19)24(30)23(16-26)34(32,33)20-12-8-5-9-13-20/h4-13,17,21-22,30H,14-15H2,1-3H3,(H,27,29)(H,28,31)/b24-23-/t21-,22?/m0/s1