N-[1-(4-methylphenyl)ethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[1-(4-methylphenyl)ethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[1-(p-tolyl)ethyl]acetamide CAS Name: N-[1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[1-(p-tolyl)ethyl]acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-13-7-9-15(10-8-13)14(2)19-18(22)12-20(27(3,25)26)16-5-4-6-17(11-16)21(23)24/h4-11,14H,12H2,1-3H3,(H,19,22)