N-[[(2R)-oxolan-2-yl]methyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H28N4O4S/c27-22(26-13-11-25(12-14-26)17-18-7-9-23-10-8-18)19-3-5-21(6-4-19)31(28,29)24-16-20-2-1-15-30-20/h3-10,20,24H,1-2,11-17H2/p+1/t20-/m1/s1