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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)C)C)C(C)(C)C

InChI

InChI=1S/C21H35N3O3S/c1-15-13-18(21(4,5)6)14-16(2)19(15)28(26,27)24-11-9-23(10-12-24)17(3)20(25)22(7)8/h13-14,17H,9-12H2,1-8H3/p+1/t17-/m1/s1