3-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: 1-(4-mesitylsulfonylpiperazino)-3-methyl-but-2-en-1-one Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C=C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C=C(C)C)C

InChI

InChI=1S/C18H26N2O3S/c1-13(2)10-17(21)19-6-8-20(9-7-19)24(22,23)18-15(4)11-14(3)12-16(18)5/h10-12H,6-9H2,1-5H3