methyl 2-[3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]phenoxy]ethanoate Openeye Name: methyl 2-[3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]phenoxy]acetate CAS Name: 2-[3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]phenoxy]acetate Traditional Name: 2-[3-[3-(N-tosylanilino)propanoylamino]phenoxy]acetic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC(=CC=C2)OCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC(=CC=C2)OCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O6S/c1-19-11-13-23(14-12-19)34(30,31)27(21-8-4-3-5-9-21)16-15-24(28)26-20-7-6-10-22(17-20)33-18-25(29)32-2/h3-14,17H,15-16,18H2,1-2H3,(H,26,28)