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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloro-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chlorobenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloro-benzenesulfonamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4S/c1-23-8-10-24(11-9-23)18(15-2-7-19-20(12-15)28-14-27-19)13-22-29(25,26)17-5-3-16(21)4-6-17/h2-7,12,18,22H,8-11,13-14H2,1H3/p+1/t18-/m1/s1