2-oxidanyl-5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-oxidanyl-5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-(4-benzylpiperazino)sulfonyl-2-hydroxy-benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c21-17-7-6-15(12-16(17)18(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2,(H,22,23)