5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-dimethylaminophenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(4-dimethylaminophenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-dimethylaminophenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(4-dimethylaminophenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(4-dimethylaminophenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(dimethylamino)benzyl]benzamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-25(2)18-9-7-17(8-10-18)16-24-22(27)20-15-19(11-12-21(20)23)30(28,29)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,27)