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

Systemtic Name: ethyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)acetic acid ethyl ester Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-20-14(17)12-15-8-10-16(11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1