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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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