N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-chloro-5-(methylthio)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-(methylthio)benzamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O3S2/c1-27-16-9-10-19(21)18(14-16)20(24)22-15-7-6-8-17(13-15)28(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)