2-chloranyl-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 2-chloranyl-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 2-chloro-N-(3-pyridylmethyl)-5-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-5-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-chloro-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2-chloro-N-(3-pyridylmethyl)-5-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H28ClN4O4S+ MolecularWeight: 480.00012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H27ClN4O4S/c23-20-6-5-18(13-21(20)32(29,30)25-15-17-3-1-7-24-14-17)22(28)27-10-8-26(9-11-27)16-19-4-2-12-31-19/h1,3,5-7,13-14,19,25H,2,4,8-12,15-16H2/p+1/t19-/m1/s1