N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methyl-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methyl-phenoxy)acetamide Formula: C21H24Br2N2O4S MolecularWeight: 560.29926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br)Br

InChI

InChI=1S/C21H24Br2N2O4S/c1-15-12-16(22)13-19(23)21(15)29-14-20(26)24-17-6-8-18(9-7-17)30(27,28)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,24,26)