(E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]but-2-en-1-one Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O5S/c1-3-4-15(19)17-9-7-16(8-10-17)13-6-5-12(24(2,22)23)11-14(13)18(20)21/h3-6,11H,7-10H2,1-2H3/b4-3+