(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-iodanylphenyl)methanone

Systemtic Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-iodanylphenyl)methanone Openeye Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-iodophenyl)methanone CAS Name: [3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-(2-iodophenyl)methanone IUPAC Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-iodophenyl)methanone Traditional Name: (3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)-(2-iodophenyl)methanone Formula: C16H18IN3O3S MolecularWeight: 459.30189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2I)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2I)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H18IN3O3S/c1-11-15(24(22,23)19-9-5-6-10-19)12(2)20(18-11)16(21)13-7-3-4-8-14(13)17/h3-4,7-8H,5-6,9-10H2,1-2H3