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

Systemtic Name: methyl 3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-phenyl-3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]propanoate CAS Name: 3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[3-(N-tosylanilino)propanoylamino]propionic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5S/c1-20-13-15-23(16-14-20)34(31,32)28(22-11-7-4-8-12-22)18-17-25(29)27-24(19-26(30)33-2)21-9-5-3-6-10-21/h3-16,24H,17-19H2,1-2H3,(H,27,29)