[(3S)-4,4-dimethylpent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [(3S)-4,4-dimethylpent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-1-tert-butylprop-2-ynyl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(3S)-4,4-dimethylpent-1-yn-3-yl] ester IUPAC Name: [(3S)-4,4-dimethylpent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-1-tert-butylprop-2-ynyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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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(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(C)(C)C

InChI

InChI=1S/C23H27NO4S/c1-6-21(23(3,4)5)28-22(25)20(16-18-10-8-7-9-11-18)24-29(26,27)19-14-12-17(2)13-15-19/h1,7-15,20-21,24H,16H2,2-5H3/t20-,21+/m0/s1