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

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-ethyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(5-ethylbenzofuran-3-yl)acetamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-2-(5-ethyl-3-benzofuranyl)acetamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-2-(5-ethylbenzofuran-3-yl)acetamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H29N3O4S2/c1-2-19-7-12-25-23(15-19)21(17-34-25)16-26(31)29-27-28-24(18-35-27)20-8-10-22(11-9-20)36(32,33)30-13-5-3-4-6-14-30/h7-12,15,17-18H,2-6,13-14,16H2,1H3,(H,28,29,31)