2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-5-10-21-19(26)22-18(25)15-23-11-13-24(14-12-23)29(27,28)17-8-6-16(7-9-17)20(2,3)4/h6-9H,5,10-15H2,1-4H3,(H2,21,22,25,26)/p+1