tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C16H24ClN2O4S+ MolecularWeight: 375.89076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O4S/c1-16(2,3)23-15(20)12-18-7-9-19(10-8-18)24(21,22)14-6-4-5-13(17)11-14/h4-6,11H,7-10,12H2,1-3H3/p+1