methyl (2R)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]propanoate

Systemtic Name: methyl (2R)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]propanoate Openeye Name: methyl (2R)-3-(4-methoxyphenyl)-2-[prop-2-ynyl(p-tolylsulfonyl)amino]propanoate CAS Name: (2R)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]propanoate Traditional Name: (2R)-3-(4-methoxyphenyl)-2-[propargyl(tosyl)amino]propionic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-5-14-22(28(24,25)19-12-6-16(2)7-13-19)20(21(23)27-4)15-17-8-10-18(26-3)11-9-17/h1,6-13,20H,14-15H2,2-4H3/t20-/m1/s1