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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2,4-bis(bromanyl)phenoxy]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromophenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,4-dibromophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromophenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromophenoxy)acetamide Formula: C20H22Br2N2O4S MolecularWeight: 546.27268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C20H22Br2N2O4S/c21-15-5-10-19(18(22)13-15)28-14-20(25)23-16-6-8-17(9-7-16)29(26,27)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2,(H,23,25)