3-azido-1-(4-methylphenyl)sulfonyl-azepan-4-one

Systemtic Name: 3-azido-1-(4-methylphenyl)sulfonyl-azepan-4-one Openeye Name: 3-azido-1-(p-tolylsulfonyl)azepan-4-one CAS Name: 3-azido-1-(4-methylphenyl)sulfonyl-4-azepanone IUPAC Name: 3-azido-1-(4-methylphenyl)sulfonylazepan-4-one Traditional Name: 3-azido-1-tosyl-azepan-4-one Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C(C2)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C(C2)N=[N+]=[N-]

InChI

InChI=1S/C13H16N4O3S/c1-10-4-6-11(7-5-10)21(19,20)17-8-2-3-13(18)12(9-17)15-16-14/h4-7,12H,2-3,8-9H2,1H3