N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromophenoxy)acetamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-28-20-11-10-18(30(26,27)24-12-4-2-3-5-13-24)14-19(20)23-21(25)15-29-17-8-6-16(22)7-9-17/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)