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

Systemtic Name: [(3S)-undec-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-1-ethynylnonyl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(3S)-undec-1-yn-3-yl] ester IUPAC Name: [(3S)-undec-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-1-octylprop-2-ynyl] ester Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C#C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC[C@@H](C#C)OC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H35NO4S/c1-4-6-7-8-9-13-16-24(5-2)32-27(29)26(21-23-14-11-10-12-15-23)28-33(30,31)25-19-17-22(3)18-20-25/h2,10-12,14-15,17-20,24,26,28H,4,6-9,13,16,21H2,1,3H3/t24-,26+/m1/s1