3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylsulfanylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(methylthio)phenyl]benzamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O3S2/c1-27-18-9-5-4-8-17(18)22-20(24)15-10-11-16(21)19(14-15)28(25,26)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)