N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-tosyl-propionamide Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO5S/c1-14-3-6-16(7-4-14)26(22,23)12-9-19(21)20-15-5-8-17-18(13-15)25-11-2-10-24-17/h3-8,13H,2,9-12H2,1H3,(H,20,21)