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

Systemtic Name: methyl 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-pyridin-4-yl-propanoate Openeye Name: methyl 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-(4-pyridyl)propanoate CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-pyridin-4-ylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-4-ylpropanoate Traditional Name: 2-[[2-[methyl(tosyl)amino]acetyl]amino]-3-(4-pyridyl)propionic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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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=NC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-14-4-6-16(7-5-14)28(25,26)22(2)13-18(23)21-17(19(24)27-3)12-15-8-10-20-11-9-15/h4-11,17H,12-13H2,1-3H3,(H,21,23)