4-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-(dimethylamino)-5-nitrobenzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H24N6O6S MolecularWeight: 464.49546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C19H24N6O6S/c1-21(2)16-5-4-13(25(28)29)10-15(16)19(27)23-6-8-24(9-7-23)32(30,31)14-11-17(18(20)26)22(3)12-14/h4-5,10-12H,6-9H2,1-3H3,(H2,20,26)