(2S)-2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[(5-chloranyl-2-methoxy-phenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: (2S)-2-(5-chloro-2-methoxy-N-methylsulfonyl-anilino)-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: (2S)-2-(5-chloro-N-mesyl-2-methoxy-anilino)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S/c1-11-14(6-5-7-15(11)22(24)25)20-18(23)12(2)21(29(4,26)27)16-10-13(19)8-9-17(16)28-3/h5-10,12H,1-4H3,(H,20,23)/t12-/m0/s1