N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H18BrNO4S2 MolecularWeight: 432.35242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H18BrNO4S2/c1-2-18(11-12-4-7-16(17)23-12)24(19,20)13-5-6-14-15(10-13)22-9-3-8-21-14/h4-7,10H,2-3,8-9,11H2,1H3