methyl (2S)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2S)-2-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-phenyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C17H21N2O4S2+ MolecularWeight: 381.48964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c1-23-17(20)16(14-6-3-2-4-7-14)18-9-11-19(12-10-18)25(21,22)15-8-5-13-24-15/h2-8,13,16H,9-12H2,1H3/p+1/t16-/m0/s1