1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-[4-(phenylcarbonyl)phenoxy]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-[4-(phenylcarbonyl)phenoxy]ethanone Openeye Name: 2-(4-benzoylphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-benzoylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzoylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-benzoylphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-21-8-14-25(15-9-21)35(32,33)29-17-5-16-28(18-19-29)26(30)20-34-24-12-10-23(11-13-24)27(31)22-6-3-2-4-7-22/h2-4,6-15H,5,16-20H2,1H3