4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid; 1H-1,2,4-triazole

Systemtic Name: 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonic acid; 1H-1,2,4-triazole Openeye Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonic acid; 1H-1,2,4-triazole CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid; 1H-1,2,4-triazole IUPAC Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonic acid; 1H-1,2,4-triazole Traditional Name: 4-(2-ketopyrrolidino)besylic acid; 1H-1,2,4-triazole Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)O.C1=NC=NN1

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)O.C1=NC=NN1

InChI

InChI=1S/C10H11NO4S.C2H3N3/c12-10-2-1-7-11(10)8-3-5-9(6-4-8)16(13,14)15;1-3-2-5-4-1/h3-6H,1-2,7H2,(H,13,14,15);1-2H,(H,3,4,5)