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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methanoyl-1-(1-thiophen-2-ylsulfonylpiperidin-3-yl)ethanamine oxide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-formyl-1-[1-(2-thienylsulfonyl)-3-piperidyl]ethanamine oxide CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-N-formyl-1-(1-thiophen-2-ylsulfonyl-3-piperidinyl)ethanamine oxide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-formyl-1-(1-thiophen-2-ylsulfonylpiperidin-3-yl)ethanamine oxide Traditional Name: 2-[4-(4-fluorophenyl)piperazino]sulfonyl-N-formyl-1-[1-(2-thienylsulfonyl)-3-piperidyl]ethanamine oxide Formula: C22H29FN4O6S3 MolecularWeight: 560.682263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(CS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)[NH+](C=O)[O-]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(CS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)[NH+](C=O)[O-]

InChI

InChI=1S/C22H29FN4O6S3/c23-19-5-7-20(8-6-19)24-10-12-25(13-11-24)35(30,31)16-21(27(29)17-28)18-3-1-9-26(15-18)36(32,33)22-4-2-14-34-22/h2,4-8,14,17-18,21,27H,1,3,9-13,15-16H2