2-oxidanyl-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-oxidanyl-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(3-thienylmethyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-hydroxy-5-[[4-(3-thiophenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-[4-(3-thenyl)piperazino]sulfonyl-benzoic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C16H18N2O5S2/c19-15-2-1-13(9-14(15)16(20)21)25(22,23)18-6-4-17(5-7-18)10-12-3-8-24-11-12/h1-3,8-9,11,19H,4-7,10H2,(H,20,21)