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

Systemtic Name: N-(2-ethylsulfanylphenyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(2-ethylsulfanylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-(ethylthio)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(2-ethylsulfanylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-(ethylthio)phenyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S2/c1-4-27-17-8-6-5-7-15(17)19-18(22)12-20(28(3,25)26)16-11-14(21(23)24)10-9-13(16)2/h5-11H,4,12H2,1-3H3,(H,19,22)