3-chloranyl-2-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-2-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide Openeye Name: 3-chloro-2-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide CAS Name: 3-chloro-2-methyl-N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]benzenesulfonamide IUPAC Name: 3-chloro-2-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide Traditional Name: 3-chloro-2-methyl-N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]benzenesulfonamide Formula: C25H31ClN5O3S+ MolecularWeight: 517.06334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H30ClN5O3S/c1-20-23(26)5-2-6-24(20)35(32,33)29-13-4-18-34-22-9-7-21(8-10-22)19-30-14-16-31(17-15-30)25-27-11-3-12-28-25/h2-3,5-12,29H,4,13-19H2,1H3/p+1