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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O5S/c1-23-9-11-24(12-10-23)19(16-3-8-20-21(13-16)29-15-28-20)14-22-30(25,26)18-6-4-17(27-2)5-7-18/h3-8,13,19,22H,9-12,14-15H2,1-2H3/p+1/t19-/m1/s1