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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O4S/c1-15-8-10-18(11-9-15)27-14-19(24)23-17(3)20(16(2)21-23)28(25,26)22-12-6-4-5-7-13-22/h8-11H,4-7,12-14H2,1-3H3