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

Systemtic Name: 3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-(4-tosylpiperazino)but-2-en-1-one Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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