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

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl thiophene-2-carboxylate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-(4-besylpiperazin-1-ium-1-yl)ethyl ester Formula: C17H21N2O4S2+ MolecularWeight: 381.48964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O4S2/c20-17(16-7-4-14-24-16)23-13-12-18-8-10-19(11-9-18)25(21,22)15-5-2-1-3-6-15/h1-7,14H,8-13H2/p+1