1-[4-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-methyl-5-methylsulfonyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-methyl-5-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-mesyl-2-methyl-benzoyl)piperazino]phenyl]ethanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-15-4-9-19(28(3,26)27)14-20(15)21(25)23-12-10-22(11-13-23)18-7-5-17(6-8-18)16(2)24/h4-9,14H,10-13H2,1-3H3