N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-ethanesulfonamide

Systemtic Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-ethanesulfonamide Openeye Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-ethanesulfonamide CAS Name: N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-propylethanesulfonamide IUPAC Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propylethanesulfonamide Traditional Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-ethanesulfonamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)CC

Isomeric SMILES

CCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)CC

InChI

InChI=1S/C17H19N5O4S/c1-3-10-20(27(25,26)4-2)14-7-5-6-13(11-14)15-8-9-18-17-16(22(23)24)12-19-21(15)17/h5-9,11-12H,3-4,10H2,1-2H3