2-[[3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-phenyl]sulfonylamino]benzamide

Systemtic Name: 2-[[3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-phenyl]sulfonylamino]benzamide Openeye Name: 2-[[3-(azepane-1-carbonyl)-4-methylsulfanyl-phenyl]sulfonylamino]benzamide CAS Name: 2-[[3-[1-azepanyl(oxo)methyl]-4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: 2-[[3-(azepane-1-carbonyl)-4-methylsulfanylphenyl]sulfonylamino]benzamide Traditional Name: 2-[[3-(azepane-1-carbonyl)-4-(methylthio)phenyl]sulfonylamino]benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-29-19-11-10-15(14-17(19)21(26)24-12-6-2-3-7-13-24)30(27,28)23-18-9-5-4-8-16(18)20(22)25/h4-5,8-11,14,23H,2-3,6-7,12-13H2,1H3,(H2,22,25)