2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C19H21FN2O5S/c1-13-4-6-16(15(20)10-13)21-19(23)12-22(2)28(24,25)14-5-7-17-18(11-14)27-9-3-8-26-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)