4-(3-methylbutylsulfanyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[3-[mesyl(methyl)amino]propyl]-3-nitro-benzamide Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCN(C)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCN(C)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O5S2/c1-13(2)8-11-26-16-7-6-14(12-15(16)20(22)23)17(21)18-9-5-10-19(3)27(4,24)25/h6-7,12-13H,5,8-11H2,1-4H3,(H,18,21)