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

Systemtic Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenoxy-ethanone Openeye Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenoxy-ethanone CAS Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenoxyethanone IUPAC Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenoxyethanone Traditional Name: 1-(4-mesyl-1,4-diazepan-1-yl)-2-phenoxy-ethanone Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O4S/c1-21(18,19)16-9-5-8-15(10-11-16)14(17)12-20-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3