1-methyl-4-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(4-nitrobenzoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(4-nitrobenzoyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(4-nitrobenzoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O6S/c1-19-11-14(10-15(19)16(18)23)29(27,28)21-8-6-20(7-9-21)17(24)12-2-4-13(5-3-12)22(25)26/h2-5,10-11H,6-9H2,1H3,(H2,18,23)