N,N-diethylethanamine; 4-[5-(methylsulfonylamino)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: N,N-diethylethanamine; 4-[5-(methylsulfonylamino)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: N,N-diethylethanamine; 4-[5-(methanesulfonamido)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: N,N-diethylethanamine; 4-[5-(methanesulfonamido)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: N,N-diethylethanamine; 4-[5-(methanesulfonamido)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-(methanesulfonamido)-3-pyrazolin-1-yl]besylic acid; triethylamine Formula: C16H26N4O6S2 MolecularWeight: 434.53084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CS(=O)(=O)NC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.CS(=O)(=O)NC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H11N3O6S2.C6H15N/c1-20(15,16)12-9-6-10(14)13(11-9)7-2-4-8(5-3-7)21(17,18)19;1-4-7(5-2)6-3/h2-6,11-12H,1H3,(H,17,18,19);4-6H2,1-3H3