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

Systemtic Name: 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]benzenesulfonamide CAS Name: 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]benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-21(2,22-27(25,26)20-11-7-4-8-12-20)18-24-15-13-23(14-16-24)17-19-9-5-3-6-10-19/h3-12,22H,13-18H2,1-2H3/p+1