4-[oxidanyl-(phenylsulfonyl)-(1H-pyrrol-2-yl)methyl]benzoic acid

Systemtic Name: 4-[oxidanyl-(phenylsulfonyl)-(1H-pyrrol-2-yl)methyl]benzoic acid Openeye Name: 4-[benzenesulfonyl-hydroxy-(1H-pyrrol-2-yl)methyl]benzoic acid CAS Name: 4-[benzenesulfonyl-hydroxy-(1H-pyrrol-2-yl)methyl]benzoic acid IUPAC Name: 4-[benzenesulfonyl-hydroxy-(1H-pyrrol-2-yl)methyl]benzoic acid Traditional Name: 4-[besyl-hydroxy-(1H-pyrrol-2-yl)methyl]benzoic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C(=O)O)(C3=CC=CN3)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C(=O)O)(C3=CC=CN3)O

InChI

InChI=1S/C18H15NO5S/c20-17(21)13-8-10-14(11-9-13)18(22,16-7-4-12-19-16)25(23,24)15-5-2-1-3-6-15/h1-12,19,22H,(H,20,21)