2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-1-(3,5-dimethylpiperidino)propan-1-one Formula: C20H28ClNO5S MolecularWeight: 429.95802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C20H28ClNO5S/c1-13-7-14(2)11-22(10-13)20(23)15(3)28(24,25)12-16-8-17(21)19-18(9-16)26-5-4-6-27-19/h8-9,13-15H,4-7,10-12H2,1-3H3