N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-bromanyl-1-benzofuran-3-yl)ethanamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-bromanyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(5-bromobenzofuran-3-yl)acetamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-2-(5-bromo-3-benzofuranyl)acetamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-bromo-1-benzofuran-3-yl)acetamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(5-bromobenzofuran-3-yl)acetamide Formula: C25H24BrN3O4S2 MolecularWeight: 574.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)CC4=COC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)CC4=COC5=C4C=C(C=C5)Br

InChI

InChI=1S/C25H24BrN3O4S2/c26-19-7-10-23-21(14-19)18(15-33-23)13-24(30)28-25-27-22(16-34-25)17-5-8-20(9-6-17)35(31,32)29-11-3-1-2-4-12-29/h5-10,14-16H,1-4,11-13H2,(H,27,28,30)