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

Systemtic Name: methyl 4-[[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(N-tosylanilino)propanoylamino]methyl]benzoic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-19-8-14-23(15-9-19)33(30,31)27(22-6-4-3-5-7-22)17-16-24(28)26-18-20-10-12-21(13-11-20)25(29)32-2/h3-15H,16-18H2,1-2H3,(H,26,28)