N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(2-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(2-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(o-tolylmethylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(2-methylphenyl)methylthio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(2-methylbenzyl)thio]acetamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O3S2/c1-17-8-4-5-9-18(17)15-29-16-22(26)24-21-14-19(10-11-20(21)23)30(27,28)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26)