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

Systemtic Name: 4-(5-benzamido-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; N,N-diethylethanamine Openeye Name: 4-(5-benzamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; N,N-diethylethanamine CAS Name: 4-(5-benzamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; N,N-diethylethanamine IUPAC Name: 4-(5-benzamido-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; N,N-diethylethanamine Traditional Name: 4-(3-benzamido-5-keto-3-pyrazolin-1-yl)besylic acid; triethylamine Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13N3O5S.C6H15N/c20-15-10-14(17-16(21)11-4-2-1-3-5-11)18-19(15)12-6-8-13(9-7-12)25(22,23)24;1-4-7(5-2)6-3/h1-10,18H,(H,17,21)(H,22,23,24);4-6H2,1-3H3