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

Systemtic Name: 4-[3-(2-oxidanylidenepyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-(2-oxo-1-pyrrolidinyl)-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[3-(2-ketopyrrolidino)pyrazol-1-yl]besylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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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)