methyl (2R)-2-(2-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C17H20ClN2O4S2+ MolecularWeight: 415.9347

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19ClN2O4S2/c1-24-17(21)16(13-5-2-3-6-14(13)18)19-8-10-20(11-9-19)26(22,23)15-7-4-12-25-15/h2-7,12,16H,8-11H2,1H3/p+1/t16-/m1/s1