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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromanyl-4-phenyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-phenyl-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-phenyl-phenoxy)acetamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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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)C4=CC=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O4S/c27-24-18-21(20-8-4-3-5-9-20)10-15-25(24)33-19-26(30)28-22-11-13-23(14-12-22)34(31,32)29-16-6-1-2-7-17-29/h3-5,8-15,18H,1-2,6-7,16-17,19H2,(H,28,30)