N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O4S/c1-14-18(15(2)23(3)22-14)19(25)20(26)21-16-9-8-10-17(13-16)29(27,28)24-11-6-4-5-7-12-24/h8-10,13H,4-7,11-12H2,1-3H3,(H,21,26)