N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S2/c1-14(2)10-11-30-20-9-7-16(12-19(20)24(26)27)21(25)22-18-13-17(8-6-15(18)3)31(28,29)23(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,22,25)