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

Systemtic Name: (2R)-N-(diphenylmethyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(diphenylmethyl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O3S/c1-20(26(31)28-25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)29-16-18-30(19-17-29)34(32,33)24-15-9-8-14-23(24)27/h2-15,20,25H,16-19H2,1H3,(H,28,31)/p+1/t20-/m1/s1