N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[1-(4-methoxyphenyl)-3-methyl-butyl]acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-15(2)12-20(16-8-10-19(30-3)11-9-16)22-21(25)14-23(31(4,28)29)17-6-5-7-18(13-17)24(26)27/h5-11,13,15,20H,12,14H2,1-4H3,(H,22,25)