4-thiophen-2-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-thiophen-2-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-thienyl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-thiophen-2-yl-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-thiophen-2-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 1-(4-mesitylsulfonylpiperazino)-4-(2-thienyl)butan-1-one Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)C

InChI

InChI=1S/C21H28N2O3S2/c1-16-14-17(2)21(18(3)15-16)28(25,26)23-11-9-22(10-12-23)20(24)8-4-6-19-7-5-13-27-19/h5,7,13-15H,4,6,8-12H2,1-3H3