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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(dimethylcarbamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-[dimethylamino(oxo)methyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-25(2)22(28)17-8-7-9-18(14-17)24-21(27)16-10-11-19(23)20(15-16)31(29,30)26-12-5-3-4-6-13-26/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,24,27)