N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(5-nitroindazol-1-yl)ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(5-nitroindazol-1-yl)ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(5-nitroindazol-1-yl)acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(5-nitro-1-indazolyl)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(5-nitroindazol-1-yl)acetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(5-nitroindazol-1-yl)acetamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C22H25N5O6S/c1-2-33-21-9-7-18(34(31,32)25-10-4-3-5-11-25)13-19(21)24-22(28)15-26-20-8-6-17(27(29)30)12-16(20)14-23-26/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,24,28)