methyl 3-[2-[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2,4-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(2,4-dimethyl-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-17-6-11-22(12-7-17)34(31,32)28(24-13-8-18(2)14-20(24)4)16-25(29)27-23-15-21(26(30)33-5)10-9-19(23)3/h6-15H,16H2,1-5H3,(H,27,29)