N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-5-chloro-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-5-chloro-3,6-dimethyl-coumarilamide Formula: C26H26ClN3O4S2 MolecularWeight: 544.08534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C)Cl

InChI

InChI=1S/C26H26ClN3O4S2/c1-16-13-23-20(14-21(16)27)17(2)24(34-23)25(31)29-26-28-22(15-35-26)18-7-9-19(10-8-18)36(32,33)30-11-5-3-4-6-12-30/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,29,31)