N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-4-bromanyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-4-bromanyl-N-methyl-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-1-benzothiophen-5-yl]-4-bromo-N-methylbenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-bromo-N-methylbenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-methyl-benzenesulfonamide Formula: C22H23BrN2O3S2 MolecularWeight: 507.46362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O3S2/c1-24(30(27,28)19-9-6-17(23)7-10-19)18-8-11-20-16(14-18)15-21(29-20)22(26)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3