[4-[3-(2-methylpropanoylamino)propanoyl]piperazin-1-yl] fluoranylmethanesulfinate

Systemtic Name: [4-[3-(2-methylpropanoylamino)propanoyl]piperazin-1-yl] fluoranylmethanesulfinate Openeye Name: [4-[3-(2-methylpropanoylamino)propanoyl]piperazin-1-yl] fluoromethanesulfinate CAS Name: fluoromethanesulfinic acid [4-[3-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]-1-piperazinyl] ester IUPAC Name: [4-[3-(2-methylpropanoylamino)propanoyl]piperazin-1-yl] fluoromethanesulfinate Traditional Name: fluoromethanesulfinic acid [4-[3-(isobutyrylamino)propanoyl]piperazino] ester Formula: C12H22FN3O4S MolecularWeight: 323.384183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCC(=O)N1CCN(CC1)OS(=O)CF

Isomeric SMILES

CC(C)C(=O)NCCC(=O)N1CCN(CC1)OS(=O)CF

InChI

InChI=1S/C12H22FN3O4S/c1-10(2)12(18)14-4-3-11(17)15-5-7-16(8-6-15)20-21(19)9-13/h10H,3-9H2,1-2H3,(H,14,18)