N-[(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C25H29ClN3O2S+ MolecularWeight: 471.03466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H28ClN3O2S/c1-20-11-13-22(14-12-20)32(30,31)27-19-25(21-7-3-2-4-8-21)29-17-15-28(16-18-29)24-10-6-5-9-23(24)26/h2-14,25,27H,15-19H2,1H3/p+1/t25-/m0/s1