2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O6S2/c1-14-4-7-16(8-5-14)29-11-10-20-19(23)13-21(30(3,26)27)17-12-15(22(24)25)6-9-18(17)28-2/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)