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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-benzamide Formula: C22H26ClFN2O4S MolecularWeight: 468.969243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26ClFN2O4S/c1-25(15-16-7-10-20(30-2)19(24)13-16)22(27)17-8-9-18(23)21(14-17)31(28,29)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15H2,1-2H3