[(1R)-1-phenylprop-2-ynyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [(1R)-1-phenylprop-2-ynyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [(1R)-1-phenylprop-2-ynyl] (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [(1R)-1-phenylprop-2-ynyl] ester IUPAC Name: [(1R)-1-phenylprop-2-ynyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid [(1R)-1-phenylprop-2-ynyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-5-19(17-9-7-6-8-10-17)26-21(23)20(15(2)3)22-27(24,25)18-13-11-16(4)12-14-18/h1,6-15,19-20,22H,2-4H3/t19-,20+/m1/s1