1-[(4-chlorophenyl)methylsulfonyl]azepane

Systemtic Name: 1-[(4-chlorophenyl)methylsulfonyl]azepane Openeye Name: 1-[(4-chlorophenyl)methylsulfonyl]azepane CAS Name: 1-[(4-chlorophenyl)methylsulfonyl]azepane IUPAC Name: 1-[(4-chlorophenyl)methylsulfonyl]azepane Traditional Name: 1-(4-chlorobenzyl)sulfonylazepane Formula: C13H18ClNO2S MolecularWeight: 287.80552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H18ClNO2S/c14-13-7-5-12(6-8-13)11-18(16,17)15-9-3-1-2-4-10-15/h5-8H,1-4,9-11H2