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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)OC)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)OC)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O5S/c1-15-20(29(25,26)22-12-6-4-5-7-13-22)16(2)23(21-15)19(24)14-28-18-10-8-17(27-3)9-11-18/h8-11H,4-7,12-14H2,1-3H3