N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O5S/c1-29(25,26)21-17-4-2-3-16(12-17)20(24)23-9-7-22(8-10-23)13-15-5-6-18-19(11-15)28-14-27-18/h2-6,11-12,21H,7-10,13-14H2,1H3/p+1