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

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O4S/c31-27(22-8-4-11-25(18-22)35(32,33)28-19-24-10-5-17-34-24)30-15-13-29(14-16-30)20-23-9-3-7-21-6-1-2-12-26(21)23/h1-4,6-9,11-12,18,24,28H,5,10,13-17,19-20H2/p+1/t24-/m1/s1