N-(cyclohexen-1-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(cyclohexen-1-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: N-(1-cyclohexenyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(cyclohexen-1-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(cyclohexen-1-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C23H29FN3O4S+ MolecularWeight: 462.557463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C23H28FN3O4S/c24-19-6-4-10-22(16-19)32(29,30)26-13-11-25(12-14-26)18-23(28)27(17-21-9-5-15-31-21)20-7-2-1-3-8-20/h4-7,9-10,15-16H,1-3,8,11-14,17-18H2/p+1