4-[4-azanyl-5-(dimethylamino)pyrazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[4-azanyl-5-(dimethylamino)pyrazol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-amino-5-(dimethylamino)-1-pyrazolyl]-1-butanesulfonic acid IUPAC Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-1-sulfonic acid Formula: C9H18N4O3S MolecularWeight: 262.32922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=NN1CCCCS(=O)(=O)O)N

Isomeric SMILES

CN(C)C1=C(C=NN1CCCCS(=O)(=O)O)N

InChI

InChI=1S/C9H18N4O3S/c1-12(2)9-8(10)7-11-13(9)5-3-4-6-17(14,15)16/h7H,3-6,10H2,1-2H3,(H,14,15,16)