N-(4-ethylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(4-ethylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(4-ethylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(4-ethylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(4-ethylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-esylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO5S/c1-2-25(21,22)15-7-5-14(6-8-15)19-18(20)13-4-9-16-17(12-13)24-11-3-10-23-16/h4-9,12H,2-3,10-11H2,1H3,(H,19,20)