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

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopentyl-acetamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isoamyl-acetamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O3S/c1-14(2)6-7-19-17(22)13-20-8-10-21(11-9-20)25(23,24)16-5-3-4-15(18)12-16/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,22)/p+1