(2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H30N4O3S/c1-17-10-11-18(2)20(16-17)23-22(27)21(19-8-6-5-7-9-19)25-12-14-26(15-13-25)30(28,29)24(3)4/h5-11,16,21H,12-15H2,1-4H3,(H,23,27)/p+1/t21-/m0/s1