tert-butyl 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C14H22ClN2O4S2+ MolecularWeight: 381.91848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H21ClN2O4S2/c1-14(2,3)21-12(18)10-16-6-8-17(9-7-16)23(19,20)13-5-4-11(15)22-13/h4-5H,6-10H2,1-3H3/p+1