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

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

CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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