1-methyl-4-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(3-methyl-4-nitro-benzoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-12-9-13(3-4-15(12)23(26)27)18(25)21-5-7-22(8-6-21)30(28,29)14-10-16(17(19)24)20(2)11-14/h3-4,9-11H,5-8H2,1-2H3,(H2,19,24)