4-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2-sulfoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-sulfoethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-sulfoethyl)piperazino]benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c16-13(17)11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-21(18,19)20/h1-4H,5-10H2,(H,16,17)(H,18,19,20)