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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)Br

InChI

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