tert-butyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)acetic acid tert-butyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)13-17-9-11-18(12-10-17)23(20,21)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1