3-(azepan-1-ylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(methylsulfamoylmethyl)benzyl]benzamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O5S2/c1-23-31(27,28)17-19-11-9-18(10-12-19)16-24-22(26)20-7-6-8-21(15-20)32(29,30)25-13-4-2-3-5-14-25/h6-12,15,23H,2-5,13-14,16-17H2,1H3,(H,24,26)