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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S2/c1-27-17-8-6-7-16(14-17)22-20(24)15-9-10-18(21)19(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)