4-chloranyl-N-[2-methyl-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-methyl-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-1-[4-(phenylmethyl)-1-piperazin-1-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-ium-1-yl)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-21(2,23-28(26,27)20-10-8-19(22)9-11-20)17-25-14-12-24(13-15-25)16-18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3/p+1