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

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

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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