4-[4-azanyl-5-(dimethylamino)pyrazol-1-yl]butane-2-sulfonic acid

Systemtic Name: 4-[4-azanyl-5-(dimethylamino)pyrazol-1-yl]butane-2-sulfonic acid Openeye Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-2-sulfonic acid CAS Name: 4-[4-amino-5-(dimethylamino)-1-pyrazolyl]-2-butanesulfonic acid IUPAC Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-2-sulfonic acid Traditional Name: 4-[4-amino-5-(dimethylamino)pyrazol-1-yl]butane-2-sulfonic acid Formula: C9H18N4O3S MolecularWeight: 262.32922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=C(C=N1)N)N(C)C)S(=O)(=O)O

Isomeric SMILES

CC(CCN1C(=C(C=N1)N)N(C)C)S(=O)(=O)O

InChI

InChI=1S/C9H18N4O3S/c1-7(17(14,15)16)4-5-13-9(12(2)3)8(10)6-11-13/h6-7H,4-5,10H2,1-3H3,(H,14,15,16)