2-[3,5-dimethyl-4-[methyl(pentyl)sulfamoyl]pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[methyl(pentyl)sulfamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[methyl(pentyl)sulfamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[methyl(pentyl)sulfamoyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[methyl(pentyl)sulfamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[amyl(methyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)S(=O)(=O)C1=C(N(N=C1C)CC(=O)O)C

Isomeric SMILES

CCCCCN(C)S(=O)(=O)C1=C(N(N=C1C)CC(=O)O)C

InChI

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