(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]but-2-en-1-one Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-4-5-16(19)17-8-10-18(11-9-17)22(20,21)15-12-13(2)6-7-14(15)3/h4-7,12H,8-11H2,1-3H3/b5-4+