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

Systemtic Name: 3,5-dimethyl-4-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]isoxazole Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-18-23(19(2)29-24-18)17-25-12-6-13-26(15-14-25)30(27,28)16-11-21-9-5-8-20-7-3-4-10-22(20)21/h3-5,7-10H,6,11-17H2,1-2H3