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

Systemtic Name: 2-[[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-pyrrolidinosulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C19H21N3O7S2 MolecularWeight: 467.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S2/c23-18(24)13-20-30(26,27)16-9-5-15(6-10-16)21-19(25)14-3-7-17(8-4-14)31(28,29)22-11-1-2-12-22/h3-10,20H,1-2,11-13H2,(H,21,25)(H,23,24)