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

Systemtic Name: N-(butylcarbamoyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-3-5-10-20-19(25)21-18(24)15-22-11-13-23(14-12-22)29(26,27)17-8-6-16(7-9-17)28-4-2/h6-9H,3-5,10-15H2,1-2H3,(H2,20,21,24,25)/p+1