1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-(phenylthio)propan-1-one Formula: C19H25N3O4S2 MolecularWeight: 423.5495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C(C)SC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S2/c1-14-18(15(2)26-20-14)28(24,25)22-11-7-10-21(12-13-22)19(23)16(3)27-17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-13H2,1-3H3