N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-(4-nitropyrazol-1-yl)acetamide Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N5O6S/c1-28-15-6-5-13(9-16(15)29(26,27)21-7-3-2-4-8-21)19-17(23)12-20-11-14(10-18-20)22(24)25/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,19,23)