methyl 3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-[3-(N-tosylanilino)propanoylamino]propionic acid methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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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=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC(CC(=O)OC)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5S2/c1-18-10-12-20(13-11-18)33(29,30)26(19-7-4-3-5-8-19)15-14-23(27)25-21(17-24(28)31-2)22-9-6-16-32-22/h3-13,16,21H,14-15,17H2,1-2H3,(H,25,27)