N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C19H24ClN5O5S MolecularWeight: 469.94236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24ClN5O5S/c1-13-19(25(27)28)14(2)24(22-13)12-18(26)21-17-11-15(7-8-16(17)20)31(29,30)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,21,26)