2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-4-9-21-19(25)14-22-20(26)15-23-10-12-24(13-11-23)29(27,28)18-7-5-17(6-8-18)16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,21,25)(H,22,26)/p+1