2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3,5-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=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

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