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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-chlorobenzyl)-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H18ClN3O6S/c1-27-16-8-7-14(21(23)24)9-15(16)20(28(2,25)26)11-17(22)19-10-12-3-5-13(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,19,22)