N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-chloro-5-(methylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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