1-(azepan-1-yl)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]ethanone Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H20ClNO5S/c17-13-7-12(8-14-16(13)23-11-22-14)9-24(20,21)10-15(19)18-5-3-1-2-4-6-18/h7-8H,1-6,9-11H2