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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-chlorophenoxy)ethanone Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O4S/c1-14-19(28(25,26)22-11-5-3-4-6-12-22)15(2)23(21-14)18(24)13-27-17-9-7-16(20)8-10-17/h7-10H,3-6,11-13H2,1-2H3