4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]benzenesulfonic acid Openeye Name: 4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]benzenesulfonic acid CAS Name: 4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]benzenesulfonic acid IUPAC Name: 4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]benzenesulfonic acid Traditional Name: 4-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]besylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(C)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=NN1)C(C)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-8(12-7-13-15-9(12)2)14-10-3-5-11(6-4-10)19(16,17)18/h3-8,14H,1-2H3,(H,13,15)(H,16,17,18)