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

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(3-acetamido-2-methylphenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-14-17(22-15(2)25)6-4-7-18(14)23-21(26)13-24(3)31(27,28)16-8-9-19-20(12-16)30-11-5-10-29-19/h4,6-9,12H,5,10-11,13H2,1-3H3,(H,22,25)(H,23,26)