(2S)-2-azanyl-N-(3-ethynylphenyl)-4-methylsulfonyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(3-ethynylphenyl)-4-methylsulfonyl-butanamide Openeye Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methylsulfonyl-butanamide CAS Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methylsulfonylbutanamide Traditional Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-mesyl-butyramide Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=CC(=C1)C#C)N

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC=CC(=C1)C#C)N

InChI

InChI=1S/C13H16N2O3S/c1-3-10-5-4-6-11(9-10)15-13(16)12(14)7-8-19(2,17)18/h1,4-6,9,12H,7-8,14H2,2H3,(H,15,16)/t12-/m0/s1