3-[4-azanyl-5-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-azanyl-5-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-amino-5-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-amino-5-[2-hydroxyethyl(methyl)amino]-1-pyrazolyl]-1-propanesulfonic acid IUPAC Name: 3-[4-amino-5-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-amino-5-[2-hydroxyethyl(methyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Formula: C9H18N4O4S MolecularWeight: 278.32862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C=NN1CCCS(=O)(=O)O)N

Isomeric SMILES

CN(CCO)C1=C(C=NN1CCCS(=O)(=O)O)N

InChI

InChI=1S/C9H18N4O4S/c1-12(4-5-14)9-8(10)7-11-13(9)3-2-6-18(15,16)17/h7,14H,2-6,10H2,1H3,(H,15,16,17)