N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-methoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-methoxy-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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