(E)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]but-2-en-1-one Formula: C15H19BrN2O3S MolecularWeight: 387.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

C/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C15H19BrN2O3S/c1-3-4-15(19)17-7-9-18(10-8-17)22(20,21)13-5-6-14(16)12(2)11-13/h3-6,11H,7-10H2,1-2H3/b4-3+