2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C20H34N3O5S+ MolecularWeight: 428.56606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(C)C)OCC

InChI

InChI=1S/C20H33N3O5S/c1-5-27-18-8-7-17(13-19(18)28-6-2)29(25,26)23-11-9-22(10-12-23)15-20(24)21-14-16(3)4/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,21,24)/p+1