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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,4-dimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,4-dimethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(2,4-dimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,4-dimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2,4-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=C(C=C2)OC)OC)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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