phenyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanesulfonate

Systemtic Name: phenyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanesulfonate Openeye Name: phenyl 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C16H21N2O5S3+ MolecularWeight: 417.54334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N2O5S3/c19-25(20,23-15-5-2-1-3-6-15)14-12-17-8-10-18(11-9-17)26(21,22)16-7-4-13-24-16/h1-7,13H,8-12,14H2/p+1