N-(2-chloranyl-5-nitro-phenyl)-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(N-methylsulfonyl-4-propoxy-anilino)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(N-mesyl-4-propoxy-anilino)acetamide Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C

InChI

InChI=1S/C18H20ClN3O6S/c1-3-10-28-15-7-4-13(5-8-15)21(29(2,26)27)12-18(23)20-17-11-14(22(24)25)6-9-16(17)19/h4-9,11H,3,10,12H2,1-2H3,(H,20,23)