2-chloranyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 2-chloro-N-[[(2R)-2-oxolanyl]methyl]-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C22H28ClN4O4S+ MolecularWeight: 480.00012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O4S/c23-20-4-3-18(14-21(20)32(29,30)25-15-19-2-1-13-31-19)22(28)27-11-9-26(10-12-27)16-17-5-7-24-8-6-17/h3-8,14,19,25H,1-2,9-13,15-16H2/p+1/t19-/m1/s1