2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-propan-2-yl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: N-cyclohexyl-2-[4-(2,5-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-cyclohexyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-cyclohexyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C21H32F2N3O3S+ MolecularWeight: 444.558886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)N(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H31F2N3O3S/c1-16(2)26(18-6-4-3-5-7-18)21(27)15-24-10-12-25(13-11-24)30(28,29)20-14-17(22)8-9-19(20)23/h8-9,14,16,18H,3-7,10-13,15H2,1-2H3/p+1