(2S)-N-(3,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3,5-dimethoxyphenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-16-5-7-21(8-6-16)31(27,28)25-11-9-24(10-12-25)17(2)22(26)23-18-13-19(29-3)15-20(14-18)30-4/h5-8,13-15,17H,9-12H2,1-4H3,(H,23,26)/p+1/t17-/m0/s1