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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-5-methyl-isoxazole-3-carboxamide Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C21H28N4O5S/c1-16-14-19(23-30-16)21(26)22-18-15-17(31(27,28)25-10-12-29-13-11-25)6-7-20(18)24-8-4-2-3-5-9-24/h6-7,14-15H,2-5,8-13H2,1H3,(H,22,26)