N-(3-cyclopropyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidanidyl-pyridin-1-ium-4-sulfonamide

Systemtic Name: N-(3-cyclopropyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidanidyl-pyridin-1-ium-4-sulfonamide Openeye Name: N-(3-cyclopropyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-oxido-pyridin-1-ium-4-sulfonamide CAS Name: N-(3-cyclopropyl-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-oxido-4-pyridin-1-iumsulfonamide IUPAC Name: N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide Traditional Name: N-(3-cyclopropyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-oxido-pyridin-1-ium-4-sulfonamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3N=C(C=C(N3N=C2)NS(=O)(=O)C4=CC=[N+](C=C4)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=C3N=C(C=C(N3N=C2)NS(=O)(=O)C4=CC=[N+](C=C4)[O-])C5=CC=CC=C5

InChI

InChI=1S/C20H17N5O3S/c26-24-10-8-16(9-11-24)29(27,28)23-19-12-18(15-4-2-1-3-5-15)22-20-17(14-6-7-14)13-21-25(19)20/h1-5,8-14,23H,6-7H2