N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O5S/c1-2-31-20-11-7-18(8-12-20)23-17-22(26-32-23)24(28)25-19-9-13-21(14-10-19)33(29,30)27-15-5-3-4-6-16-27/h7-14,17H,2-6,15-16H2,1H3,(H,25,28)