N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S2/c1-4-25(5-2)33(30,31)17-9-10-19(24-12-6-7-13-24)18(15-17)23-22(27)16-8-11-21(32-3)20(14-16)26(28)29/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,27)