2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-18(23(25)26)14(2)22(20-13)12-17(24)19-15-7-6-8-16(11-15)29(27,28)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,19,24)