3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[butyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propionic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=C(N(N=C1C)CCC(=O)O)C

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=C(N(N=C1C)CCC(=O)O)C

InChI

InChI=1S/C13H23N3O4S/c1-5-6-8-15(4)21(19,20)13-10(2)14-16(11(13)3)9-7-12(17)18/h5-9H2,1-4H3,(H,17,18)