3-[[3-(propan-2-ylcarbamoylsulfamoyl)pyridin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[3-(propan-2-ylcarbamoylsulfamoyl)pyridin-4-yl]amino]benzoic acid Openeye Name: 3-[[3-(isopropylcarbamoylsulfamoyl)-4-pyridyl]amino]benzoic acid CAS Name: 3-[[3-[[oxo-(propan-2-ylamino)methyl]sulfamoyl]-4-pyridinyl]amino]benzoic acid IUPAC Name: 3-[[3-(propan-2-ylcarbamoylsulfamoyl)pyridin-4-yl]amino]benzoic acid Traditional Name: 3-[[3-(isopropylcarbamoylsulfamoyl)-4-pyridyl]amino]benzoic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H18N4O5S/c1-10(2)18-16(23)20-26(24,25)14-9-17-7-6-13(14)19-12-5-3-4-11(8-12)15(21)22/h3-10H,1-2H3,(H,17,19)(H,21,22)(H2,18,20,23)