2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-methyl-N-(3-thenyl)acetamide Formula: C18H20ClNO5S2 MolecularWeight: 429.9381

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)CS(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H20ClNO5S2/c1-20(9-13-3-6-26-10-13)17(21)12-27(22,23)11-14-7-15(19)18-16(8-14)24-4-2-5-25-18/h3,6-8,10H,2,4-5,9,11-12H2,1H3