N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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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(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c1-4-24(5-2)31(29,30)16-8-9-18(23-10-6-7-11-23)17(13-16)21-20(26)19-12-15(25(27)28)14-22(19)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,26)