N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzenesulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29N3O5S/c1-3-28-18-5-7-19(8-6-18)31(26,27)23-15-20(25-12-10-24(2)11-13-25)17-4-9-21-22(14-17)30-16-29-21/h4-9,14,20,23H,3,10-13,15-16H2,1-2H3/p+1/t20-/m0/s1