5-methyl-3-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-methyl-isoxazole CAS Name: 5-methyl-3-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-5-methyl-isoxazole Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S/c1-15-12-17(18-23-15)13-19-8-5-9-20(11-10-19)24(21,22)14-16-6-3-2-4-7-16/h2-4,6-7,12H,5,8-11,13-14H2,1H3