(2R)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-fluorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-fluorophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-15-3-9-19(10-4-15)28(26,27)24-13-11-23(12-14-24)16(2)20(25)22-18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1