3-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(4-hydroxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(4-hydroxyphenyl)piperazino]sulfonylbenzoic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S/c20-15-6-4-14(5-7-15)18-8-10-19(11-9-18)25(23,24)16-3-1-2-13(12-16)17(21)22/h1-7,12,20H,8-11H2,(H,21,22)