(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H27N3O4S/c1-18-22(23(25-31-18)20-7-4-3-5-8-20)24(28)27-14-6-13-26(15-16-27)17-19-9-11-21(12-10-19)32(2,29)30/h3-5,7-12H,6,13-17H2,1-2H3