2-methyl-1-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(3-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(3-mesylbenzoyl)piperazino]-2-methyl-propan-1-one Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-12(2)15(19)17-7-9-18(10-8-17)16(20)13-5-4-6-14(11-13)23(3,21)22/h4-6,11-12H,7-10H2,1-3H3