5-(phenylsulfonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: 5-(phenylsulfonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: 5-(benzenesulfonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate IUPAC Name: 5-(benzenesulfonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-besyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NN=C2C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1NN=C2C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O4S/c17-13(18)12-10-8-16(7-6-11(10)14-15-12)21(19,20)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,17,18)/p-1