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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)C(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[NH+](C=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)C(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)[NH+](C=O)[O-]

InChI

InChI=1S/C21H33FN4O6S2/c1-2-15-33(29,30)24-9-7-18(8-10-24)21(26(28)17-27)16-34(31,32)25-13-11-23(12-14-25)20-5-3-19(22)4-6-20/h3-6,17-18,21,26H,2,7-16H2,1H3