N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-methylcoumaran-5-yl)isoxazole-3-carboxamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H27N3O5S/c1-17-14-19-15-18(6-11-23(19)32-17)24-16-22(27-33-24)25(29)26-20-7-9-21(10-8-20)34(30,31)28-12-4-2-3-5-13-28/h6-11,15-17H,2-5,12-14H2,1H3,(H,26,29)