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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-chloranyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-chlorobenzofuran-3-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(5-chloro-3-benzofuranyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-chloro-1-benzofuran-3-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-chlorobenzofuran-3-yl)acetamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=COC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=COC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O4S/c23-17-5-10-21-20(14-17)16(15-29-21)13-22(26)24-18-6-8-19(9-7-18)30(27,28)25-11-3-1-2-4-12-25/h5-10,14-15H,1-4,11-13H2,(H,24,26)