2-[4-(4-methylphenoxy)phenoxy]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-[4-(4-methylphenoxy)phenoxy]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-[4-(4-methylphenoxy)phenoxy]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone CAS Name: 2-[4-(4-methylphenoxy)phenoxy]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone IUPAC Name: 2-[4-(4-methylphenoxy)phenoxy]-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 1-(4-mesyl-1,4-diazepan-1-yl)-2-[4-(4-methylphenoxy)phenoxy]ethanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-17-4-6-19(7-5-17)28-20-10-8-18(9-11-20)27-16-21(24)22-12-3-13-23(15-14-22)29(2,25)26/h4-11H,3,12-16H2,1-2H3