methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-[2-(3-oxidanylprop-1-ynyl)phenyl]hex-5-ynoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-[2-(3-oxidanylprop-1-ynyl)phenyl]hex-5-ynoate Openeye Name: methyl (2S)-6-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(p-tolylsulfonylamino)hex-5-ynoate CAS Name: (2S)-6-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-5-hexynoic acid methyl ester IUPAC Name: methyl (2S)-6-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]hex-5-ynoate Traditional Name: (2S)-6-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(tosylamino)hex-5-ynoic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC#CC2=CC=CC=C2C#CCO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC#CC2=CC=CC=C2C#CCO)C(=O)OC

InChI

InChI=1S/C23H23NO5S/c1-18-13-15-21(16-14-18)30(27,28)24-22(23(26)29-2)12-6-5-10-19-8-3-4-9-20(19)11-7-17-25/h3-4,8-9,13-16,22,24-25H,6,12,17H2,1-2H3/t22-/m0/s1