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

Systemtic Name: 3-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H27N3O4S2/c25-21(24-10-8-23(9-11-24)16-18-5-2-12-28-18)17-4-1-7-20(14-17)30(26,27)22-15-19-6-3-13-29-19/h1,3-4,6-7,13-14,18,22H,2,5,8-12,15-16H2/p+1/t18-/m1/s1