4-[4-(3-sulfopropyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(3-sulfopropyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(3-sulfopropyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(3-sulfopropyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(3-sulfopropyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(3-sulfopropyl)piperazino]benzoic acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H20N2O5S/c17-14(18)12-2-4-13(5-3-12)16-9-7-15(8-10-16)6-1-11-22(19,20)21/h2-5H,1,6-11H2,(H,17,18)(H,19,20,21)