N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-17-24-22(31-26-17)16-32-21-12-5-4-11-20(21)23(28)25-18-9-8-10-19(15-18)33(29,30)27-13-6-2-3-7-14-27/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,25,28)