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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2-chloranyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-chloro-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-chloro-phenoxy)acetamide Formula: C20H22BrClN2O4S MolecularWeight: 501.82168

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O4S/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)