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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4S/c1-4-12(17)15-6-5-7-16(9-8-15)21(18,19)13-10(2)14-20-11(13)3/h4-9H2,1-3H3