methyl (2S)-2-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate

Systemtic Name: methyl (2S)-2-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate Openeye Name: methyl (2S)-2-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate CAS Name: (2S)-2-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[mesitylsulfonyl(3-phenylprop-2-ynyl)amino]propionic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-16-14-17(2)21(18(3)15-16)28(25,26)23(19(4)22(24)27-5)13-9-12-20-10-7-6-8-11-20/h6-8,10-11,14-15,19H,13H2,1-5H3/t19-/m0/s1