3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)-1-piperazin-4-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(dimethylsulfamoyl)-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenyl-propionamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)[N+]1(CCN(CC1)CCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)S(=O)(=O)[N+]1(CCN(CC1)CCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N4O4S/c1-24(2)31(28,29)26(20-11-7-8-12-21(20)30-3)17-15-25(16-18-26)14-13-22(27)23-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3/p+1