(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C26H29FN3O4S+ MolecularWeight: 498.589563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O4S/c1-19-8-13-24(34-2)23(18-19)28-26(31)25(20-6-4-3-5-7-20)29-14-16-30(17-15-29)35(32,33)22-11-9-21(27)10-12-22/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)/p+1/t25-/m0/s1