1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-2-phenoxy-ethanone

Systemtic Name: 1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-2-phenoxy-ethanone Openeye Name: 1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-2-phenoxy-ethanone CAS Name: 1-[3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-2-phenoxyethanone IUPAC Name: 1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-2-phenoxyethanone Traditional Name: 1-(3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)-2-phenoxy-ethanone Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O4S/c1-13-17(25(22,23)19-10-6-7-11-19)14(2)20(18-13)16(21)12-24-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3