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

Systemtic Name: 1-methyl-4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(3-nitrobenzoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(3-nitrobenzoyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(3-nitrobenzoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H19N5O6S MolecularWeight: 421.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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