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

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-chloro-4-nitro-benzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H18ClN5O6S MolecularWeight: 455.87272

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O6S/c1-20-10-12(9-15(20)16(19)24)30(28,29)22-6-4-21(5-7-22)17(25)13-3-2-11(23(26)27)8-14(13)18/h2-3,8-10H,4-7H2,1H3,(H2,19,24)