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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]butan-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Formula: C14H23N3O4S MolecularWeight: 329.41512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCCC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C14H23N3O4S/c1-4-6-13(18)16-7-5-8-17(10-9-16)22(19,20)14-11(2)15-21-12(14)3/h4-10H2,1-3H3