2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S2/c1-16-6-4-7-17(12-16)15-31-11-5-10-22-21(25)14-23(32(3,28)29)19-13-18(24(26)27)8-9-20(19)30-2/h4,6-9,12-13H,5,10-11,14-15H2,1-3H3,(H,22,25)