N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2,6-dimethyl-phenoxy)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2,6-dimethyl-phenoxy)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethyl-phenoxy)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethyl-phenoxy)propionamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)Br

InChI

InChI=1S/C23H29BrN2O4S/c1-16-14-19(24)15-17(2)22(16)30-18(3)23(27)25-20-8-10-21(11-9-20)31(28,29)26-12-6-4-5-7-13-26/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,25,27)