[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-iodanylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-iodophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(2-iodophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-iodophenyl)methanone Formula: C18H22IN3O3S MolecularWeight: 487.35505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2I)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2I)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22IN3O3S/c1-13-17(26(24,25)21-11-7-3-4-8-12-21)14(2)22(20-13)18(23)15-9-5-6-10-16(15)19/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3