N-(butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-3-5-11-21-20(26)22-19(25)16-23-12-14-24(15-13-23)29(27,28)18-9-7-17(6-4-2)8-10-18/h7-10H,3-6,11-16H2,1-2H3,(H2,21,22,25,26)/p+1