2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-15-5-9-18(10-6-15)29-12-4-11-21-20(24)14-22(30(3,27)28)19-13-17(23(25)26)8-7-16(19)2/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,24)