3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(2-hydroxy-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O6S/c21-16-7-6-14(27(25,26)20-8-1-2-9-20)11-15(16)17(22)19-13-5-3-4-12(10-13)18(23)24/h3-7,10-11,21H,1-2,8-9H2,(H,19,22)(H,23,24)