(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-5-20-7-9-21(10-8-20)24-23(27)19(4)25-12-14-26(15-13-25)30(28,29)22-11-6-17(2)16-18(22)3/h6-11,16,19H,5,12-15H2,1-4H3,(H,24,27)/p+1/t19-/m0/s1