N-(2-methyl-5-nitro-phenyl)-2-[methylsulfonyl(phenethyl)amino]ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[methylsulfonyl(phenethyl)amino]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[methylsulfonyl(phenethyl)amino]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[methylsulfonyl(phenethyl)amino]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[methylsulfonyl(phenethyl)amino]acetamide Traditional Name: 2-[mesyl(phenethyl)amino]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S/c1-14-8-9-16(21(23)24)12-17(14)19-18(22)13-20(27(2,25)26)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)