(2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C21H35N3O3S/c1-8-22-20(25)17(4)23-9-11-24(12-10-23)28(26,27)19-15(2)13-18(14-16(19)3)21(5,6)7/h13-14,17H,8-12H2,1-7H3,(H,22,25)/p+1/t17-/m0/s1