5-(5-azanyl-3-tert-butyl-pyrazol-1-yl)-2-methyl-benzenesulfonic acid

Systemtic Name: 5-(5-azanyl-3-tert-butyl-pyrazol-1-yl)-2-methyl-benzenesulfonic acid Openeye Name: 5-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-methyl-benzenesulfonic acid CAS Name: 5-(5-amino-3-tert-butyl-1-pyrazolyl)-2-methylbenzenesulfonic acid IUPAC Name: 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylbenzenesulfonic acid Traditional Name: 5-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-methyl-besylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N)S(=O)(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-9-5-6-10(7-11(9)21(18,19)20)17-13(15)8-12(16-17)14(2,3)4/h5-8H,15H2,1-4H3,(H,18,19,20)