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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[[4-[dimethylamino(oxo)methyl]phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(dimethylcarbamoyl)benzyl]benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28ClN3O4S/c1-26(2)23(29)18-9-7-17(8-10-18)16-25-22(28)19-11-12-20(24)21(15-19)32(30,31)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,25,28)