2-[[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S2/c25-20(23-17-6-10-18(11-7-17)32(28,29)22-15-21(26)27)12-5-16-3-8-19(9-4-16)33(30,31)24-13-1-2-14-24/h3-4,6-11,22H,1-2,5,12-15H2,(H,23,25)(H,26,27)