N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-22-9-15-26(16-10-22)34(32,33)28-21-27(23-11-13-24(14-12-23)29(2)3)31-19-17-30(18-20-31)25-7-5-4-6-8-25/h4-16,27-28H,17-21H2,1-3H3/p+1/t27-/m0/s1