6-[2-(2,2-dimethylpropyl)-5-oxidanylidene-4-(pyridin-3-ylmethyl)pyrazol-1-yl]pyridine-3-sulfonamide

Systemtic Name: 6-[2-(2,2-dimethylpropyl)-5-oxidanylidene-4-(pyridin-3-ylmethyl)pyrazol-1-yl]pyridine-3-sulfonamide Openeye Name: 6-[2-(2,2-dimethylpropyl)-5-oxo-4-(3-pyridylmethyl)pyrazol-1-yl]pyridine-3-sulfonamide CAS Name: 6-[2-(2,2-dimethylpropyl)-5-oxo-4-(3-pyridinylmethyl)-1-pyrazolyl]-3-pyridinesulfonamide IUPAC Name: 6-[2-(2,2-dimethylpropyl)-5-oxo-4-(pyridin-3-ylmethyl)pyrazol-1-yl]pyridine-3-sulfonamide Traditional Name: 6-[5-keto-2-neopentyl-4-(3-pyridylmethyl)-3-pyrazolin-1-yl]pyridine-3-sulfonamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C(=O)N1C2=NC=C(C=C2)S(=O)(=O)N)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CN1C=C(C(=O)N1C2=NC=C(C=C2)S(=O)(=O)N)CC3=CN=CC=C3

InChI

InChI=1S/C19H23N5O3S/c1-19(2,3)13-23-12-15(9-14-5-4-8-21-10-14)18(25)24(23)17-7-6-16(11-22-17)28(20,26)27/h4-8,10-12H,9,13H2,1-3H3,(H2,20,26,27)