N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-naphthalen-1-yl-methanesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-naphthalen-1-yl-methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-(1-naphthyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-(1-naphthalenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-naphthalen-1-ylmethanesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-(1-naphthyl)methanesulfonamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O5S/c1-34(30,31)28(22-8-4-6-20-5-2-3-7-21(20)22)17-25(29)27-13-11-26(12-14-27)16-19-9-10-23-24(15-19)33-18-32-23/h2-10,15H,11-14,16-18H2,1H3/p+1