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

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-4-9-20-19(25)21-18(24)14-22-10-12-23(13-11-22)28(26,27)17-7-5-16(6-8-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H2,20,21,24,25)/p+1