4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoic acid Traditional Name: 4-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20N2O5S/c22-18(20-17-9-7-16(8-10-17)19(23)24)15-5-3-14(4-6-15)13-27(25,26)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)(H,23,24)