N-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromanyl-5-methoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromo-5-methoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromo-5-methoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromo-5-methoxy-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23BrN2O4S/c1-27-16-8-11-19(21)18(14-16)20(24)22-15-6-9-17(10-7-15)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)