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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-15-5-4-6-16(11-15)14-30-10-9-21-20(24)13-22(31(3,27)28)18-12-17(23(25)26)7-8-19(18)29-2/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,21,24)