4-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2E,4E)-1-oxohexa-2,4-dienyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C16H22N4O4S/c1-3-4-5-6-15(21)19-7-9-20(10-8-19)25(23,24)13-11-14(16(17)22)18(2)12-13/h3-6,11-12H,7-10H2,1-2H3,(H2,17,22)/b4-3+,6-5+