N-[[(5R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methyl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[[(5R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methyl]-4-chloranyl-benzenesulfonamide Openeye Name: 4-chloro-N-[[(5R)-1,3-dibenzylhexahydropyrimidin-1-ium-5-yl]methyl]benzenesulfonamide CAS Name: N-[[(5R)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methyl]-4-chlorobenzenesulfonamide IUPAC Name: 4-chloro-N-[[(5R)-1,3-dibenzyl-1,3-diazinan-1-ium-5-yl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[[(5R)-1,3-dibenzylhexahydropyrimidin-1-ium-5-yl]methyl]benzenesulfonamide Formula: C25H29ClN3O2S+ MolecularWeight: 471.03466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)CNS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@@H](CN(C[NH+]1CC2=CC=CC=C2)CC3=CC=CC=C3)CNS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O2S/c26-24-11-13-25(14-12-24)32(30,31)27-15-23-18-28(16-21-7-3-1-4-8-21)20-29(19-23)17-22-9-5-2-6-10-22/h1-14,23,27H,15-20H2/p+1