2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H26ClN3O3S/c1-4-17(2,3)19-16(22)13-20-8-10-21(11-9-20)25(23,24)15-7-5-6-14(18)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H,19,22)/p+1