2-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2,5-dimethylphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2,5-dimethylphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-17-6-9-20(10-7-17)29(26,27)24-12-4-11-23(13-14-24)22(25)16-28-21-15-18(2)5-8-19(21)3/h5-10,15H,4,11-14,16H2,1-3H3