4-methyl-N-[2-[(1R)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-ynyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(1R)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-ynyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[(1R)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-ynyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(1R)-1-(4-methyl-1-piperazin-4-iumyl)-3-phenylprop-2-ynyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(1R)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenylprop-2-ynyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[(1R)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-ynyl]phenyl]benzenesulfonamide Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C#CC3=CC=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2[C@@H](C#CC3=CC=CC=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C27H29N3O2S/c1-22-12-15-24(16-13-22)33(31,32)28-26-11-7-6-10-25(26)27(30-20-18-29(2)19-21-30)17-14-23-8-4-3-5-9-23/h3-13,15-16,27-28H,18-21H2,1-2H3/p+1/t27-/m1/s1