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

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C16H18ClN5O5S MolecularWeight: 427.86262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O5S/c1-19-10-12(9-15(19)16(18)23)28(26,27)21-6-4-20(5-7-21)14-3-2-11(22(24)25)8-13(14)17/h2-3,8-10H,4-7H2,1H3,(H2,18,23)