N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethanoylphenyl)sulfonyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethanoylphenyl)sulfonyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[(4-acetylphenyl)sulfonyl-allyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-acetylphenyl)sulfonyl-allyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O6S/c1-3-11-24(31(27,28)19-8-5-17(6-9-19)16(2)25)15-22(26)23-18-7-10-20-21(14-18)30-13-4-12-29-20/h3,5-10,14H,1,4,11-13,15H2,2H3,(H,23,26)