N-[(1-ethylpyrrolidin-2-yl)methyl]-8-ethylsulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-ethylsulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-ethylsulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-8-ethylsulfonyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-ethylsulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: 8-esyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=CC3=C2OCCCO3)S(=O)(=O)CC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=CC3=C2OCCCO3)S(=O)(=O)CC

InChI

InChI=1S/C19H28N2O5S/c1-3-21-8-5-7-14(21)13-20-19(22)16-11-15(27(23,24)4-2)12-17-18(16)26-10-6-9-25-17/h11-12,14H,3-10,13H2,1-2H3,(H,20,22)