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

Systemtic Name: 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17ClN2O5S/c19-15-8-7-12(27(25,26)21-9-3-4-10-21)11-14(15)17(22)20-16-6-2-1-5-13(16)18(23)24/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)(H,23,24)