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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,3-dimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,3-dimethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(2,3-dimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,3-dimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,3-dimethoxyphenyl)methanone Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-14-19(29(25,26)22-12-7-5-6-8-13-22)15(2)23(21-14)20(24)16-10-9-11-17(27-3)18(16)28-4/h9-11H,5-8,12-13H2,1-4H3