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

Systemtic Name: [(3S)-oct-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-1-ethynylhexyl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(3S)-oct-1-yn-3-yl] ester IUPAC Name: [(3S)-oct-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-1-amylprop-2-ynyl] ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S/c1-4-6-8-13-21(5-2)29-24(26)23(18-20-11-9-7-10-12-20)25-30(27,28)22-16-14-19(3)15-17-22/h2,7,9-12,14-17,21,23,25H,4,6,8,13,18H2,1,3H3/t21-,23+/m1/s1