ethyl 4-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-ethyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-ethyl-N-mesyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-5-16-7-10-18(11-8-16)23(29(4,26)27)14-20(24)22-19-12-9-17(13-15(19)3)21(25)28-6-2/h7-13H,5-6,14H2,1-4H3,(H,22,24)