1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepane Formula: C12H17FN2O3S MolecularWeight: 288.338383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCNCC2)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCNCC2)F

InChI

InChI=1S/C12H17FN2O3S/c1-18-12-4-3-10(9-11(12)13)19(16,17)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3