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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C20H24N2O4S MolecularWeight: 388.48056

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-17-8-10-19(11-9-17)27(24,25)22-13-5-12-21(14-15-22)20(23)16-26-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3