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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C20H27N5O5S MolecularWeight: 449.52388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N5O5S/c1-14-8-9-17(12-18(14)31(29,30)23-10-6-4-5-7-11-23)21-19(26)13-24-16(3)20(25(27)28)15(2)22-24/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,26)