2-[4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(2-oxoazepan-3-yl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[(2-oxo-3-azepanyl)sulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[(2-oxoazepan-3-yl)sulfamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[(2-ketoazepan-3-yl)sulfamoyl]pyrazol-1-yl]acetic acid Formula: C11H16N4O5S MolecularWeight: 316.33354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CN(N=C2)CC(=O)O

InChI

InChI=1S/C11H16N4O5S/c16-10(17)7-15-6-8(5-13-15)21(19,20)14-9-3-1-2-4-12-11(9)18/h5-6,9,14H,1-4,7H2,(H,12,18)(H,16,17)