3-[4-[(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonylamino)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[oxo(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)sulfamoyl]phenyl]propionic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=NN2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H20N4O5S/c22-15(23)10-7-11-5-8-12(9-6-11)27(25,26)21-20-17(24)16-13-3-1-2-4-14(13)18-19-16/h5-6,8-9,21H,1-4,7,10H2,(H,18,19)(H,20,24)(H,22,23)