methyl 3-(4-cyanophenyl)-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-cyanophenyl)-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-cyanophenyl)-2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]propanoate CAS Name: 3-(4-cyanophenyl)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]propanoate Traditional Name: 3-(4-cyanophenyl)-2-[[2-[methyl(tosyl)amino]acetyl]amino]propionic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-15-4-10-18(11-5-15)30(27,28)24(2)14-20(25)23-19(21(26)29-3)12-16-6-8-17(13-22)9-7-16/h4-11,19H,12,14H2,1-3H3,(H,23,25)