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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromanyl-4-chloranyl-phenoxy)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-chloro-phenoxy)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-bromo-4-chlorophenoxy)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-chlorophenoxy)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-chloro-phenoxy)propionamide Formula: C21H24BrClN2O4S MolecularWeight: 515.84826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrClN2O4S/c1-15(29-20-11-6-16(23)14-19(20)22)21(26)24-17-7-9-18(10-8-17)30(27,28)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3,(H,24,26)