4-[3-(2-oxidanylidenepyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[3-(2-oxidanylidenepyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonate CAS Name: 4-[3-(2-oxo-1-pyrrolidinyl)-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonate Traditional Name: 4-[3-(2-ketopyrrolidino)pyrazol-1-yl]besylate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=NN(C=C2)C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=NN(C=C2)C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-13-2-1-8-15(13)12-7-9-16(14-12)10-3-5-11(6-4-10)21(18,19)20/h3-7,9H,1-2,8H2,(H,18,19,20)/p-1