ethyl 4-methyl-3-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(N-tosylanilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26N2O5S/c1-4-32-25(29)20-13-12-19(3)23(16-20)26-24(28)17-27(21-8-6-5-7-9-21)33(30,31)22-14-10-18(2)11-15-22/h5-16H,4,17H2,1-3H3,(H,26,28)