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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(3-methyl-5-isoxazolyl)methylthio]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methylisoxazol-5-yl)methylthio]benzamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S2/c1-18-16-20(31-26-18)17-32-23-9-5-4-8-22(23)24(28)25-19-10-12-21(13-11-19)33(29,30)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3,(H,25,28)