[(2S)-but-3-yn-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [(2S)-but-3-yn-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-1-methylprop-2-ynyl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(2S)-but-3-yn-2-yl] ester IUPAC Name: [(2S)-but-3-yn-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-1-methylprop-2-ynyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-4-16(3)25-20(22)19(14-17-8-6-5-7-9-17)21-26(23,24)18-12-10-15(2)11-13-18/h1,5-13,16,19,21H,14H2,2-3H3/t16-,19-/m0/s1