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

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-(3-methyl-1-phenylbutyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15(2)12-19(16-8-5-4-6-9-16)21-20(24)14-22(29(3,27)28)17-10-7-11-18(13-17)23(25)26/h4-11,13,15,19H,12,14H2,1-3H3,(H,21,24)