N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanylphenoxy)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanylphenoxy)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromophenoxy)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-bromophenoxy)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromophenoxy)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromophenoxy)propionamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-16(28-19-11-9-17(22)10-12-19)21(25)23-18-7-6-8-20(15-18)29(26,27)24-13-4-2-3-5-14-24/h6-12,15-16H,2-5,13-14H2,1H3,(H,23,25)