3-methyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-(4-nosylpiperazino)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)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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