1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-methyl-1,4-diazepane

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-methyl-1,4-diazepane Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-methyl-1,4-diazepane CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-methyl-1,4-diazepane IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-methyl-1,4-diazepane Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-methyl-1,4-diazepane Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C13H19BrN2O3S/c1-15-6-3-7-16(9-8-15)20(17,18)13-10-11(14)4-5-12(13)19-2/h4-5,10H,3,6-9H2,1-2H3