N-butyl-4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide

Systemtic Name: N-butyl-4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Openeye Name: N-butyl-4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide CAS Name: N-butyl-4-methoxy-N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]benzenesulfonamide IUPAC Name: N-butyl-4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Traditional Name: N-butyl-4-methoxy-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23N5O5S/c1-3-4-14-26(34(31,32)20-10-8-19(33-2)9-11-20)18-7-5-6-17(15-18)21-12-13-24-23-22(28(29)30)16-25-27(21)23/h5-13,15-16H,3-4,14H2,1-2H3