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

Systemtic Name: 3-chloranyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide Openeye Name: 3-chloro-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide CAS Name: 3-chloro-N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzenesulfonamide Traditional Name: 3-chloro-N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]benzenesulfonamide Formula: C24H29ClN5O3S+ MolecularWeight: 503.03676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNS(=O)(=O)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNS(=O)(=O)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C24H28ClN5O3S/c25-21-4-1-5-23(18-21)34(31,32)28-12-3-17-33-22-8-6-20(7-9-22)19-29-13-15-30(16-14-29)24-26-10-2-11-27-24/h1-2,4-11,18,28H,3,12-17,19H2/p+1