1-(3-chloranyl-2-methyl-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3-chloro-2-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(3-chloro-2-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-chloro-2-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3-chloro-2-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C12H17ClN2O2S MolecularWeight: 288.79358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C12H17ClN2O2S/c1-10-11(13)4-2-5-12(10)18(16,17)15-8-3-6-14-7-9-15/h2,4-5,14H,3,6-9H2,1H3