methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-phenyl-3-[3-(p-tolylsulfonylamino)propanoylamino]propanoate CAS Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[3-(tosylamino)propanoylamino]propionic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-8-10-17(11-9-15)28(25,26)21-13-12-19(23)22-18(14-20(24)27-2)16-6-4-3-5-7-16/h3-11,18,21H,12-14H2,1-2H3,(H,22,23)