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

Systemtic Name: N,N-diethylethanamine; 4-(5-morpholin-4-yl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: N,N-diethylethanamine; 4-(5-morpholino-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: N,N-diethylethanamine; 4-[5-(4-morpholinyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: N,N-diethylethanamine; 4-(5-morpholin-4-yl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-morpholino-3-pyrazolin-1-yl)besylic acid; triethylamine Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1COCCN1C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.C1COCCN1C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H15N3O5S.C6H15N/c17-13-9-12(15-5-7-21-8-6-15)14-16(13)10-1-3-11(4-2-10)22(18,19)20;1-4-7(5-2)6-3/h1-4,9,14H,5-8H2,(H,18,19,20);4-6H2,1-3H3