2-(3-methylsulfonylphenoxy)-1-piperazin-1-yl-propan-1-one

Systemtic Name: 2-(3-methylsulfonylphenoxy)-1-piperazin-1-yl-propan-1-one Openeye Name: 2-(3-methylsulfonylphenoxy)-1-piperazin-1-yl-propan-1-one CAS Name: 2-(3-methylsulfonylphenoxy)-1-(1-piperazinyl)-1-propanone IUPAC Name: 2-(3-methylsulfonylphenoxy)-1-piperazin-1-ylpropan-1-one Traditional Name: 2-(3-mesylphenoxy)-1-piperazino-propan-1-one Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)OC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCNCC1)OC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O4S/c1-11(14(17)16-8-6-15-7-9-16)20-12-4-3-5-13(10-12)21(2,18)19/h3-5,10-11,15H,6-9H2,1-2H3