5-methyl-3-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S/c1-18-16-21(23-28-18)17-24-11-5-12-25(14-13-24)29(26,27)15-10-20-8-4-7-19-6-2-3-9-22(19)20/h2-4,6-9,16H,5,10-15,17H2,1H3