4-[2-[4-(3-sulfopropyl)piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-(3-sulfopropyl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(3-sulfopropyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(3-sulfopropyl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(3-sulfopropyl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(3-sulfopropyl)piperazino]ethyl]benzoic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H24N2O5S/c19-16(20)15-4-2-14(3-5-15)6-8-18-11-9-17(10-12-18)7-1-13-24(21,22)23/h2-5H,1,6-13H2,(H,19,20)(H,21,22,23)