2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-11-15(5-4-6-16(11)21(23)24)19-17(22)12(2)20(27(3,25)26)14-9-7-13(18)8-10-14/h4-10,12H,1-3H3,(H,19,22)