N-[(4-chlorophenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-chlorobenzyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H18ClN3O5S/c1-12-3-8-15(21(23)24)9-16(12)20(27(2,25)26)11-17(22)19-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3,(H,19,22)