tert-butyl 2-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C16H23Cl2N2O4S+ MolecularWeight: 410.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O4S/c1-16(2,3)24-15(21)11-19-6-8-20(9-7-19)25(22,23)14-10-12(17)4-5-13(14)18/h4-5,10H,6-9,11H2,1-3H3/p+1