2-[[4-[(4-pyrazol-1-ylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-pyrazol-1-ylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c23-17(24)12-20-28(26,27)16-8-4-14(5-9-16)21-18(25)13-2-6-15(7-3-13)22-11-1-10-19-22/h1-11,20H,12H2,(H,21,25)(H,23,24)