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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethanone Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-17-22(31(28,29)25-14-8-6-7-9-15-25)18(2)26(24-17)21(27)16-30-20-12-10-19(11-13-20)23(3,4)5/h10-13H,6-9,14-16H2,1-5H3