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

Systemtic Name: ethyl 2-methyl-3-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-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=C(C(=CC=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

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

InChI

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