N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-5-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-5-(dimethylsulfamoyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-5-(dimethylsulfamoyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-chloro-5-(dimethylsulfamoyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-chloro-5-(dimethylsulfamoyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-5-(dimethylsulfamoyl)benzamide Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28ClN3O5S2/c1-16-8-9-17(14-21(16)33(30,31)26-12-6-4-5-7-13-26)24-22(27)19-15-18(10-11-20(19)23)32(28,29)25(2)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,27)