3-(3,5-dimethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 3-(3,5-dimethylphenoxy)-1-(4-methylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(3,5-dimethylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethylphenoxy)-1-(4-mesylpiperazino)propan-1-one Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4S/c1-13-10-14(2)12-15(11-13)22-9-4-16(19)17-5-7-18(8-6-17)23(3,20)21/h10-12H,4-9H2,1-3H3