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

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-3,5-dimethyl-benzofuran-2-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-3,5-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-3,5-dimethyl-coumarilamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H27N3O4S2/c1-17-7-12-23-21(15-17)18(2)24(33-23)25(30)28-26-27-22(16-34-26)19-8-10-20(11-9-19)35(31,32)29-13-5-3-4-6-14-29/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,27,28,30)