[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C26H29F2N4O3S+ MolecularWeight: 515.595266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H28F2N4O3S/c27-21-7-3-19(4-8-21)25(20-5-9-22(28)10-6-20)30-13-15-31(16-14-30)26(33)24-17-23(18-29-24)36(34,35)32-11-1-2-12-32/h3-10,17-18,25,29H,1-2,11-16H2/p+1