4-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 4-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(2-hydroxy-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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