(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N(C)C)C

InChI

InChI=1S/C22H29N3O3S/c1-17-10-11-20(16-18(17)2)29(27,28)25-14-12-24(13-15-25)21(22(26)23(3)4)19-8-6-5-7-9-19/h5-11,16,21H,12-15H2,1-4H3/p+1/t21-/m0/s1