2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methanoyl-1-(1-propan-2-ylsulfonylpiperidin-3-yl)ethanamine oxide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methanoyl-1-(1-propan-2-ylsulfonylpiperidin-3-yl)ethanamine oxide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-formyl-1-(1-isopropylsulfonyl-3-piperidyl)ethanamine oxide CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-N-formyl-1-(1-propan-2-ylsulfonyl-3-piperidinyl)ethanamine oxide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-formyl-1-(1-propan-2-ylsulfonylpiperidin-3-yl)ethanamine oxide Traditional Name: 2-[4-(4-fluorophenyl)piperazino]sulfonyl-N-formyl-1-(1-isopropylsulfonyl-3-piperidyl)ethanamine oxide Formula: C21H33FN4O6S2 MolecularWeight: 520.638323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCCC(C1)C(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[NH+](C=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)N1CCCC(C1)C(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[NH+](C=O)[O-]

InChI

InChI=1S/C21H33FN4O6S2/c1-17(2)34(31,32)25-9-3-4-18(14-25)21(26(28)16-27)15-33(29,30)24-12-10-23(11-13-24)20-7-5-19(22)6-8-20/h5-8,16-18,21,26H,3-4,9-15H2,1-2H3