ethyl 4-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[methylsulfonyl(phenethyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[methylsulfonyl(phenethyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[methylsulfonyl(phenethyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[mesyl(phenethyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-3-27-20(24)17-9-11-18(12-10-17)21-19(23)15-22(28(2,25)26)14-13-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,21,23)