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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(4-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O5S/c1-30-19-10-6-17(7-11-19)22-16-21(25-31-22)23(27)24-18-8-12-20(13-9-18)32(28,29)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H,24,27)